(2S)-2-(1-benzofuran-5-ylsulfonylamino)-N,N-bis(2-methylpropyl)-3-[4-(1,3-thiazol-5-ylmethoxy)phenyl]propanamide;(2S)-2-(1-benzofuran-5-ylsulfonylamino)-3-[4-[(2,5-dimethylpyrazol-3-yl)methoxy]phenyl]-N,N-bis(2-methylpropyl)propanamide;(2S)-2-(1-benzofuran-5-ylsulfonylamino)-N-[2-(4-methylphenyl)ethyl]-3-(1,3-thiazol-4-yl)-N-(1,3-thiazol-5-ylmethyl)propanamide;(2S)-2-(1-benzofuran-5-ylsulfonylamino)-N-(2-methylpropyl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]propanamide

C109H130N14O18S8 — CID 159739156

IUPAC(2S)-2-(1-benzofuran-5-ylsulfonylamino)-N,N-bis(2-methylpropyl)-3-[4-(1,3-thiazol-5-ylmethoxy)phenyl]propanamide;(2S)-2-(1-benzofuran-5-ylsulfonylamino)-3-[4-[(2,5-dimethylpyrazol-3-yl)methoxy]phenyl]-N,N-bis(2-methylpropyl)propanamide;(2S)-2-(1-benzofuran-5-ylsulfonylamino)-N-[2-(4-methylphenyl)ethyl]-3-(1,3-thiazol-4-yl)-N-(1,3-thiazol-5-ylmethyl)propanamide;(2S)-2-(1-benzofuran-5-ylsulfonylamino)-N-(2-methylpropyl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]propanamide
SMILESCC(C)CN(CC(C)C)C(=O)[C@H](Cc1ccc(OCc2cncs2)cc1)NS(=O)(=O)c1ccc2occc2c1.CC(C)CN(Cc1csc(C(C)C)n1)C(=O)[C@H](C)NS(=O)(=O)c1ccc2occc2c1.Cc1cc(COc2ccc(C[C@H](NS(=O)(=O)c3ccc4occc4c3)C(=O)N(CC(C)C)CC(C)C)cc2)n(C)n1.Cc1ccc(CCN(Cc2cncs2)C(=O)[C@H](Cc2cscn2)NS(=O)(=O)c2ccc3occc3c2)cc1
InChIInChI=1S/C31H40N4O5S.C29H35N3O5S2.C27H26N4O4S3.C22H29N3O4S2/c1-21(2)18-35(19-22(3)4)31(36)29(33-41(37,38)28-11-12-30-25(17-28)13-14-39-30)16-24-7-9-27(10-8-24)40-20-26-15-23(5)32-34(26)6;1-20(2)16-32(17-21(3)4)29(33)27(31-39(34,35)26-9-10-28-23(14-26)11-12-36-28)13-22-5-7-24(8-6-22)37-18-25-15-30-19-38-25;1-19-2-4-20(5-3-19)8-10-31(15-23-14-28-17-37-23)27(32)25(13-22-16-36-18-29-22)30-38(33,34)24-6-7-26-21(12-24)9-11-35-26;1-14(2)11-25(12-18-13-30-21(23-18)15(3)4)22(26)16(5)24-31(27,28)19-6-7-20-17(10-19)8-9-29-20/h7-15,17,21-22,29,33H,16,18-20H2,1-6H3;5-12,14-15,19-21,27,31H,13,16-18H2,1-4H3;2-7,9,11-12,14,16-18,25,30H,8,10,13,15H2,1H3;6-10,13-16,24H,11-12H2,1-5H3/t29-;27-;25-;16-/m0000/s1
InChIKeyNCFKVAHORNYBOF-MTKDPDJZSA-N
MW2180.85 g/mol
LogP19.76
Rot. Bonds46

About (2S)-2-(1-benzofuran-5-ylsulfonylamino)-N,N-bis(2-methylpropyl)-3-[4-(1,3-thiazol-5-ylmethoxy)phenyl]propanamide;(2S)-2-(1-benzofuran-5-ylsulfonylamino)-3-[4-[(2,5-dimethylpyrazol-3-yl)methoxy]phenyl]-N,N-bis(2-methylpropyl)propanamide;(2S)-2-(1-benzofuran-5-ylsulfonylamino)-N-[2-(4-methylphenyl)ethyl]-3-(1,3-thiazol-4-yl)-N-(1,3-thiazol-5-ylmethyl)propanamide;(2S)-2-(1-benzofuran-5-ylsulfonylamino)-N-(2-methylpropyl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]propanamide

(2S)-2-(1-benzofuran-5-ylsulfonylamino)-N,N-bis(2-methylpropyl)-3-[4-(1,3-thiazol-5-ylmethoxy)phenyl]propanamide;(2S)-2-(1-benzofuran-5-ylsulfonylamino)-3-[4-[(2,5-dimethylpyrazol-3-yl)methoxy]phenyl]-N,N-bis(2-methylpropyl)propanamide;(2S)-2-(1-benzofuran-5-ylsulfonylamino)-N-[2-(4-methylphenyl)ethyl]-3-(1,3-thiazol-4-yl)-N-(1,3-thiazol-5-ylmethyl)propanamide;(2S)-2-(1-benzofuran-5-ylsulfonylamino)-N-(2-methylpropyl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]propanamide (PubChem CID 159739156) has the molecular formula C109H130N14O18S8 and a molecular weight of 2180.85 g/mol. Its IUPAC name is (2S)-2-(1-benzofuran-5-ylsulfonylamino)-N,N-bis(2-methylpropyl)-3-[4-(1,3-thiazol-5-ylmethoxy)phenyl]propanamide;(2S)-2-(1-benzofuran-5-ylsulfonylamino)-3-[4-[(2,5-dimethylpyrazol-3-yl)methoxy]phenyl]-N,N-bis(2-methylpropyl)propanamide;(2S)-2-(1-benzofuran-5-ylsulfonylamino)-N-[2-(4-methylphenyl)ethyl]-3-(1,3-thiazol-4-yl)-N-(1,3-thiazol-5-ylmethyl)propanamide;(2S)-2-(1-benzofuran-5-ylsulfonylamino)-N-(2-methylpropyl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]propanamide.

Molecular Properties

Compound Name(2S)-2-(1-benzofuran-5-ylsulfonylamino)-N,N-bis(2-methylpropyl)-3-[4-(1,3-thiazol-5-ylmethoxy)phenyl]propanamide;(2S)-2-(1-benzofuran-5-ylsulfonylamino)-3-[4-[(2,5-dimethylpyrazol-3-yl)methoxy]phenyl]-N,N-bis(2-methylpropyl)propanamide;(2S)-2-(1-benzofuran-5-ylsulfonylamino)-N-[2-(4-methylphenyl)ethyl]-3-(1,3-thiazol-4-yl)-N-(1,3-thiazol-5-ylmethyl)propanamide;(2S)-2-(1-benzofuran-5-ylsulfonylamino)-N-(2-methylpropyl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]propanamide
PubChem CID159739156
Molecular FormulaC109H130N14O18S8
Molecular Weight2180.85 g/mol
Exact Mass2178.75
IUPAC Name(2S)-2-(1-benzofuran-5-ylsulfonylamino)-N,N-bis(2-methylpropyl)-3-[4-(1,3-thiazol-5-ylmethoxy)phenyl]propanamide;(2S)-2-(1-benzofuran-5-ylsulfonylamino)-3-[4-[(2,5-dimethylpyrazol-3-yl)methoxy]phenyl]-N,N-bis(2-methylpropyl)propanamide;(2S)-2-(1-benzofuran-5-ylsulfonylamino)-N-[2-(4-methylphenyl)ethyl]-3-(1,3-thiazol-4-yl)-N-(1,3-thiazol-5-ylmethyl)propanamide;(2S)-2-(1-benzofuran-5-ylsulfonylamino)-N-(2-methylpropyl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]propanamide
SMILESCC(C)CN(CC(C)C)C(=O)[C@H](Cc1ccc(OCc2cncs2)cc1)NS(=O)(=O)c1ccc2occc2c1.CC(C)CN(Cc1csc(C(C)C)n1)C(=O)[C@H](C)NS(=O)(=O)c1ccc2occc2c1.Cc1cc(COc2ccc(C[C@H](NS(=O)(=O)c3ccc4occc4c3)C(=O)N(CC(C)C)CC(C)C)cc2)n(C)n1.Cc1ccc(CCN(Cc2cncs2)C(=O)[C@H](Cc2cscn2)NS(=O)(=O)c2ccc3occc3c2)cc1
InChIInChI=1S/C31H40N4O5S.C29H35N3O5S2.C27H26N4O4S3.C22H29N3O4S2/c1-21(2)18-35(19-22(3)4)31(36)29(33-41(37,38)28-11-12-30-25(17-28)13-14-39-30)16-24-7-9-27(10-8-24)40-20-26-15-23(5)32-34(26)6;1-20(2)16-32(17-21(3)4)29(33)27(31-39(34,35)26-9-10-28-23(14-26)11-12-36-28)13-22-5-7-24(8-6-22)37-18-25-15-30-19-38-25;1-19-2-4-20(5-3-19)8-10-31(15-23-14-28-17-37-23)27(32)25(13-22-16-36-18-29-22)30-38(33,34)24-6-7-26-21(12-24)9-11-35-26;1-14(2)11-25(12-18-13-30-21(23-18)15(3)4)22(26)16(5)24-31(27,28)19-6-7-20-17(10-19)8-9-29-20/h7-15,17,21-22,29,33H,16,18-20H2,1-6H3;5-12,14-15,19-21,27,31H,13,16-18H2,1-4H3;2-7,9,11-12,14,16-18,25,30H,8,10,13,15H2,1H3;6-10,13-16,24H,11-12H2,1-5H3/t29-;27-;25-;16-/m0000/s1
InChIKeyNCFKVAHORNYBOF-MTKDPDJZSA-N
XLogP19.76
TPSA406.32 Ų
H-Bond Donors4
H-Bond Acceptors28
Rotatable Bonds46
Heavy Atoms149
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002180.85
LogP ≤ 519.76
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1028

Analyze (2S)-2-(1-benzofuran-5-ylsulfonylamino)-N,N-bis(2-methylpropyl)-3-[4-(1,3-thiazol-5-ylmethoxy)phenyl]propanamide;(2S)-2-(1-benzofuran-5-ylsulfonylamino)-3-[4-[(2,5-dimethylpyrazol-3-yl)methoxy]phenyl]-N,N-bis(2-methylpropyl)propanamide;(2S)-2-(1-benzofuran-5-ylsulfonylamino)-N-[2-(4-methylphenyl)ethyl]-3-(1,3-thiazol-4-yl)-N-(1,3-thiazol-5-ylmethyl)propanamide;(2S)-2-(1-benzofuran-5-ylsulfonylamino)-N-(2-methylpropyl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]propanamide with MolForge

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Related Compounds

(2S)-2-(1-benzofuran-5-ylsulfonylamino)-N-[(1,5-dimethylpyrazol-3-yl)methyl]-N-(2-methylpropyl)-3-(1,3-thiazol-4-yl)propanamide
CID 44201081
(2S)-6-acetamido-2-(1-benzofuran-5-ylsulfonylamino)-N,N-bis(2-methylpropyl)hexanamide;2-(1-benzofuran-5-ylsulfonylamino)-6-[(1,5-dimethylpyrazol-3-yl)methyl-methylsulfonylamino]-N,N-bis(2-methylpropyl)hexanamide;2-[1-benzofuran-5-ylsulfonyl-[(3-methylimidazol-4-yl)methyl]amino]-N,N-bis(2-methylpropyl)acetamide;2-[1-benzofuran-5-ylsulfonyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]-N,N-bis(2-methylpropyl)acetamide
CID 157062331
(2R)-3-(1-benzofuran-5-yl)-2-(1-benzofuran-5-ylmethylamino)-N-(2-methylpropyl)propanamide;2-[1-benzofuran-5-ylsulfonyl-[(2,5-dimethylpyrazol-3-yl)methyl]amino]-N,N-bis(2-methylpropyl)acetamide;2-[1-benzofuran-5-ylsulfonyl-[2-(3-methylpyrazol-1-yl)ethyl]amino]-N,N-bis(2-methylpropyl)acetamide;2-[1-benzofuran-5-ylsulfonyl(pyridin-2-ylmethyl)amino]-N,N-bis(2-methylpropyl)acetamide
CID 157413916
(2S)-2-(1-benzofuran-5-ylsulfonylamino)-4-[bis[(1,5-dimethylpyrazol-3-yl)methyl]amino]-N,N-bis(2-methylpropyl)butanamide;(2S)-2-(1-benzofuran-5-ylsulfonylamino)-N,N-bis(2-methylpropyl)-3-pyridin-2-ylpropanamide;(2S)-2-(1-benzofuran-5-ylsulfonylamino)-N-(2-methylpropyl)-3-(1,3-thiazol-4-yl)-N-(1,3-thiazol-5-ylmethyl)propanamide;(2S)-2-[1-benzofuran-5-ylsulfonyl(methyl)amino]-N-(2-methylpropyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(1,3-thiazol-4-yl)propanamide
CID 158056673
(2S)-2-(1-benzofuran-5-ylsulfonylamino)-6-[(3-methylimidazol-4-yl)methyl-methylsulfonylamino]-N,N-bis(2-methylpropyl)hexanamide;(2S)-2-(1-benzofuran-5-ylsulfonylamino)-N-(2-methylpropyl)-3-(1,3-thiazol-4-yl)-N-(1,3-thiazol-4-ylmethyl)propanamide;(2S)-2-[1-benzofuran-5-ylsulfonyl-[(2,5-dimethylpyrazol-3-yl)methyl]amino]-N,N-bis(2-methylpropyl)-3-phenylpropanamide;(2S)-2-[1-benzofuran-5-ylsulfonyl(1,3-thiazol-5-ylmethyl)amino]-4-methyl-N,N-bis(2-methylpropyl)pentanamide
CID 158058086
3-(1-benzofuran-5-yl)-2-(1-benzofuran-5-ylmethylamino)-N-(2-methylpropyl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]propanamide;(2S)-2-[1-benzofuran-5-ylsulfonyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]-N,N-bis(2-methylpropyl)propanamide;(2S)-2-[1-benzofuran-5-ylsulfonyl(1,3-thiazol-5-ylmethyl)amino]-N,N-bis(2-methylpropyl)propanamide;(2S)-2-[1-benzofuran-5-ylsulfonyl(1,3-thiazol-4-ylmethyl)amino]-N,N-bis(2-methylpropyl)-3-(1,3-thiazol-4-yl)propanamide
CID 158451463
(2S)-2-(1-benzofuran-5-ylsulfonylamino)-N'-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-N'-methyl-N,N-bis(2-methylpropyl)butanediamide;(2S)-2-(1-benzofuran-5-ylsulfonylamino)-6-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl-methylsulfonylamino]-N,N-bis(2-methylpropyl)hexanamide;(2S)-2-[1-benzofuran-5-ylsulfonyl(1,3-thiazol-5-ylmethyl)amino]-N,N-bis(2-methylpropyl)-3-(1,3-thiazol-4-yl)propanamide;1,3-thiazol-5-ylmethyl N-[(3S)-3-(1-benzofuran-5-ylsulfonylamino)-4-[bis(2-methylpropyl)amino]-4-oxobutyl]carbamate
CID 158515252
(2S)-2-(1-benzofuran-5-ylsulfonylamino)-6-[bis[(1,5-dimethylpyrazol-3-yl)methyl]amino]-N,N-bis(2-methylpropyl)hexanamide;(2S)-2-(1-benzofuran-5-ylsulfonylamino)-N,N-bis(2-methylpropyl)-6-[(2-pyridin-3-ylacetyl)amino]hexanamide;(2S)-2-(1-benzofuran-5-ylsulfonylamino)-4-methyl-N-(2-methylpropyl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pentanamide
CID 160339685
(2S)-2-(1-benzofuran-5-ylsulfonylamino)-N'-(2-methylpropyl)-N'-[(2-methyl-1,3-thiazol-4-yl)methyl]-N,N-dipropylbutanediamide;(2S)-2-(1-benzofuran-5-ylsulfonylamino)-N-(2-phenylethyl)-3-(1,3-thiazol-4-yl)-N-(1,3-thiazol-5-ylmethyl)propanamide;(2S)-2-[1-benzofuran-5-ylsulfonyl-[(2,5-dimethylpyrazol-3-yl)methyl]amino]-N-(2-methylpropyl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]propanamide;(2S)-2-[1-benzofuran-5-ylsulfonyl-[(3-ethylimidazol-4-yl)methyl]amino]-N,N-bis(2-methylpropyl)propanamide
CID 160352232
(2S)-2-[1-benzofuran-5-ylsulfonyl(methyl)amino]-4-[(1,5-dimethylpyrazol-3-yl)methyl-methylsulfonylamino]-N,N-bis(2-methylpropyl)butanamide;(2S)-2-[1-benzofuran-5-ylsulfonyl-[(3-methylimidazol-4-yl)methyl]amino]-N,N-bis(2-methylpropyl)-3-phenylpropanamide;(2S)-2-[1-benzofuran-5-ylsulfonyl-[2-(3-methylpyrazol-1-yl)ethyl]amino]-4-methyl-N,N-bis(2-methylpropyl)pentanamide;2-[1-benzofuran-5-ylsulfonyl(1,3-thiazol-5-ylmethyl)amino]-N,N-bis(2-methylpropyl)acetamide
CID 160646919
1-benzofuran-5-ylmethyl N-[(2S)-1-[bis(2-methylpropyl)amino]-3-[4-[(1,5-dimethylpyrazol-3-yl)methoxy]phenyl]-1-oxopropan-2-yl]carbamate;1-benzofuran-5-ylmethyl N-[(2S)-1-[2-methylpropyl(1,3-thiazol-5-ylmethyl)amino]-1-oxo-3-(1,3-thiazol-4-yl)propan-2-yl]carbamate;(2S)-2-[1-benzofuran-5-ylsulfonyl-[(3-ethylimidazol-4-yl)methyl]amino]-N-(2-methylpropyl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]propanamide;(2S)-2-[1-benzofuran-5-ylsulfonyl(1,3-thiazol-5-ylmethyl)amino]-N-[(2,5-dimethylpyrazol-3-yl)methyl]-N-(2-methylpropyl)propanamide
CID 161010459
(2S)-2-(1-benzofuran-5-ylsulfonylamino)-N,N-bis(2-methylpropyl)propanamide;(2S)-2-(1-benzofuran-5-ylsulfonylamino)-4-[(1,5-dimethylpyrazol-3-yl)methyl-methylsulfonylamino]-N,N-bis(2-methylpropyl)butanamide;(2S)-2-[1-benzofuran-5-ylsulfonyl-[(2,5-dimethylpyrazol-3-yl)methyl]amino]-4-methyl-N,N-bis(2-methylpropyl)pentanamide;(2S)-2-[1-benzofuran-5-ylsulfonyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]-4-methyl-N,N-bis(2-methylpropyl)pentanamide
CID 161034465

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(1-benzofuran-5-ylsulfonylamino)-N,N-bis(2-methylpropyl)-3-[4-(1,3-thiazol-5-ylmethoxy)phenyl]propanamide;(2S)-2-(1-benzofuran-5-ylsulfonylamino)-3-[4-[(2,5-dimethylpyrazol-3-yl)methoxy]phenyl]-N,N-bis(2-methylpropyl)propanamide;(2S)-2-(1-benzofuran-5-ylsulfonylamino)-N-[2-(4-methylphenyl)ethyl]-3-(1,3-thiazol-4-yl)-N-(1,3-thiazol-5-ylmethyl)propanamide;(2S)-2-(1-benzofuran-5-ylsulfonylamino)-N-(2-methylpropyl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]propanamide?
The IUPAC name of (2S)-2-(1-benzofuran-5-ylsulfonylamino)-N,N-bis(2-methylpropyl)-3-[4-(1,3-thiazol-5-ylmethoxy)phenyl]propanamide;(2S)-2-(1-benzofuran-5-ylsulfonylamino)-3-[4-[(2,5-dimethylpyrazol-3-yl)methoxy]phenyl]-N,N-bis(2-methylpropyl)propanamide;(2S)-2-(1-benzofuran-5-ylsulfonylamino)-N-[2-(4-methylphenyl)ethyl]-3-(1,3-thiazol-4-yl)-N-(1,3-thiazol-5-ylmethyl)propanamide;(2S)-2-(1-benzofuran-5-ylsulfonylamino)-N-(2-methylpropyl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]propanamide (CID 159739156) is (2S)-2-(1-benzofuran-5-ylsulfonylamino)-N,N-bis(2-methylpropyl)-3-[4-(1,3-thiazol-5-ylmethoxy)phenyl]propanamide;(2S)-2-(1-benzofuran-5-ylsulfonylamino)-3-[4-[(2,5-dimethylpyrazol-3-yl)methoxy]phenyl]-N,N-bis(2-methylpropyl)propanamide;(2S)-2-(1-benzofuran-5-ylsulfonylamino)-N-[2-(4-methylphenyl)ethyl]-3-(1,3-thiazol-4-yl)-N-(1,3-thiazol-5-ylmethyl)propanamide;(2S)-2-(1-benzofuran-5-ylsulfonylamino)-N-(2-methylpropyl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]propanamide.
What is the SMILES notation for (2S)-2-(1-benzofuran-5-ylsulfonylamino)-N,N-bis(2-methylpropyl)-3-[4-(1,3-thiazol-5-ylmethoxy)phenyl]propanamide;(2S)-2-(1-benzofuran-5-ylsulfonylamino)-3-[4-[(2,5-dimethylpyrazol-3-yl)methoxy]phenyl]-N,N-bis(2-methylpropyl)propanamide;(2S)-2-(1-benzofuran-5-ylsulfonylamino)-N-[2-(4-methylphenyl)ethyl]-3-(1,3-thiazol-4-yl)-N-(1,3-thiazol-5-ylmethyl)propanamide;(2S)-2-(1-benzofuran-5-ylsulfonylamino)-N-(2-methylpropyl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]propanamide?
The canonical SMILES for (2S)-2-(1-benzofuran-5-ylsulfonylamino)-N,N-bis(2-methylpropyl)-3-[4-(1,3-thiazol-5-ylmethoxy)phenyl]propanamide;(2S)-2-(1-benzofuran-5-ylsulfonylamino)-3-[4-[(2,5-dimethylpyrazol-3-yl)methoxy]phenyl]-N,N-bis(2-methylpropyl)propanamide;(2S)-2-(1-benzofuran-5-ylsulfonylamino)-N-[2-(4-methylphenyl)ethyl]-3-(1,3-thiazol-4-yl)-N-(1,3-thiazol-5-ylmethyl)propanamide;(2S)-2-(1-benzofuran-5-ylsulfonylamino)-N-(2-methylpropyl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]propanamide is CC(C)CN(CC(C)C)C(=O)[C@H](Cc1ccc(OCc2cncs2)cc1)NS(=O)(=O)c1ccc2occc2c1.CC(C)CN(Cc1csc(C(C)C)n1)C(=O)[C@H](C)NS(=O)(=O)c1ccc2occc2c1.Cc1cc(COc2ccc(C[C@H](NS(=O)(=O)c3ccc4occc4c3)C(=O)N(CC(C)C)CC(C)C)cc2)n(C)n1.Cc1ccc(CCN(Cc2cncs2)C(=O)[C@H](Cc2cscn2)NS(=O)(=O)c2ccc3occc3c2)cc1.
What is the InChIKey of (2S)-2-(1-benzofuran-5-ylsulfonylamino)-N,N-bis(2-methylpropyl)-3-[4-(1,3-thiazol-5-ylmethoxy)phenyl]propanamide;(2S)-2-(1-benzofuran-5-ylsulfonylamino)-3-[4-[(2,5-dimethylpyrazol-3-yl)methoxy]phenyl]-N,N-bis(2-methylpropyl)propanamide;(2S)-2-(1-benzofuran-5-ylsulfonylamino)-N-[2-(4-methylphenyl)ethyl]-3-(1,3-thiazol-4-yl)-N-(1,3-thiazol-5-ylmethyl)propanamide;(2S)-2-(1-benzofuran-5-ylsulfonylamino)-N-(2-methylpropyl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]propanamide?
The InChIKey is NCFKVAHORNYBOF-MTKDPDJZSA-N. The full InChI is InChI=1S/C31H40N4O5S.C29H35N3O5S2.C27H26N4O4S3.C22H29N3O4S2/c1-21(2)18-35(19-22(3)4)31(36)29(33-41(37,38)28-11-12-30-25(17-28)13-14-39-30)16-24-7-9-27(10-8-24)40-20-26-15-23(5)32-34(26)6;1-20(2)16-32(17-21(3)4)29(33)27(31-39(34,35)26-9-10-28-23(14-26)11-12-36-28)13-22-5-7-24(8-6-22)37-18-25-15-30-19-38-25;1-19-2-4-20(5-3-19)8-10-31(15-23-14-28-17-37-23)27(32)25(13-22-16-36-18-29-22)30-38(33,34)24-6-7-26-21(12-24)9-11-35-26;1-14(2)11-25(12-18-13-30-21(23-18)15(3)4)22(26)16(5)24-31(27,28)19-6-7-20-17(10-19)8-9-29-20/h7-15,17,21-22,29,33H,16,18-20H2,1-6H3;5-12,14-15,19-21,27,31H,13,16-18H2,1-4H3;2-7,9,11-12,14,16-18,25,30H,8,10,13,15H2,1H3;6-10,13-16,24H,11-12H2,1-5H3/t29-;27-;25-;16-/m0000/s1.
What are the key properties of (2S)-2-(1-benzofuran-5-ylsulfonylamino)-N,N-bis(2-methylpropyl)-3-[4-(1,3-thiazol-5-ylmethoxy)phenyl]propanamide;(2S)-2-(1-benzofuran-5-ylsulfonylamino)-3-[4-[(2,5-dimethylpyrazol-3-yl)methoxy]phenyl]-N,N-bis(2-methylpropyl)propanamide;(2S)-2-(1-benzofuran-5-ylsulfonylamino)-N-[2-(4-methylphenyl)ethyl]-3-(1,3-thiazol-4-yl)-N-(1,3-thiazol-5-ylmethyl)propanamide;(2S)-2-(1-benzofuran-5-ylsulfonylamino)-N-(2-methylpropyl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]propanamide?
(2S)-2-(1-benzofuran-5-ylsulfonylamino)-N,N-bis(2-methylpropyl)-3-[4-(1,3-thiazol-5-ylmethoxy)phenyl]propanamide;(2S)-2-(1-benzofuran-5-ylsulfonylamino)-3-[4-[(2,5-dimethylpyrazol-3-yl)methoxy]phenyl]-N,N-bis(2-methylpropyl)propanamide;(2S)-2-(1-benzofuran-5-ylsulfonylamino)-N-[2-(4-methylphenyl)ethyl]-3-(1,3-thiazol-4-yl)-N-(1,3-thiazol-5-ylmethyl)propanamide;(2S)-2-(1-benzofuran-5-ylsulfonylamino)-N-(2-methylpropyl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]propanamide has a molecular weight of 2180.85 g/mol, XLogP of 19.76, 46 rotatable bonds, 4 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(1-benzofuran-5-ylsulfonylamino)-N,N-bis(2-methylpropyl)-3-[4-(1,3-thiazol-5-ylmethoxy)phenyl]propanamide;(2S)-2-(1-benzofuran-5-ylsulfonylamino)-3-[4-[(2,5-dimethylpyrazol-3-yl)methoxy]phenyl]-N,N-bis(2-methylpropyl)propanamide;(2S)-2-(1-benzofuran-5-ylsulfonylamino)-N-[2-(4-methylphenyl)ethyl]-3-(1,3-thiazol-4-yl)-N-(1,3-thiazol-5-ylmethyl)propanamide;(2S)-2-(1-benzofuran-5-ylsulfonylamino)-N-(2-methylpropyl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]propanamide is sourced from PubChem (CID 159739156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).