(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

C101H150N14O18S6 — CID 161034465

IUPAC(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
SMILESCC(C)CN(CC(C)C)C(=O)[C@H](C)NS(=O)(=O)c1ccc2occc2c1.Cc1cc(CN(CC[C@H](NS(=O)(=O)c2ccc3occc3c2)C(=O)N(CC(C)C)CC(C)C)S(C)(=O)=O)nn1C.Cc1cc(CN([C@@H](CC(C)C)C(=O)N(CC(C)C)CC(C)C)S(=O)(=O)c2ccc3occc3c2)n(C)n1.Cc1nc(CN([C@@H](CC(C)C)C(=O)N(CC(C)C)CC(C)C)S(=O)(=O)c2ccc3occc3c2)cs1
InChIInChI=1S/C28H42N4O4S.C27H41N5O6S2.C27H39N3O4S2.C19H28N2O4S/c1-19(2)13-26(28(33)31(16-20(3)4)17-21(5)6)32(18-24-14-22(7)29-30(24)8)37(34,35)25-9-10-27-23(15-25)11-12-36-27;1-19(2)16-31(17-20(3)4)27(33)25(29-40(36,37)24-8-9-26-22(15-24)11-13-38-26)10-12-32(39(7,34)35)18-23-14-21(5)30(6)28-23;1-18(2)12-25(27(31)29(14-19(3)4)15-20(5)6)30(16-23-17-35-21(7)28-23)36(32,33)24-8-9-26-22(13-24)10-11-34-26;1-13(2)11-21(12-14(3)4)19(22)15(5)20-26(23,24)17-6-7-18-16(10-17)8-9-25-18/h9-12,14-15,19-21,26H,13,16-18H2,1-8H3;8-9,11,13-15,19-20,25,29H,10,12,16-18H2,1-7H3;8-11,13,17-20,25H,12,14-16H2,1-7H3;6-10,13-15,20H,11-12H2,1-5H3/t26-;2*25-;15-/m0000/s1
InChIKeyUABKNQIHBHLNJL-RGIJUTNOSA-N
MW2040.79 g/mol
LogP17.52
Rot. Bonds46

About (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

(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 (PubChem CID 161034465) has the molecular formula C101H150N14O18S6 and a molecular weight of 2040.79 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID161034465
Molecular FormulaC101H150N14O18S6
Molecular Weight2040.79 g/mol
Exact Mass2038.96
IUPAC Name(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
SMILESCC(C)CN(CC(C)C)C(=O)[C@H](C)NS(=O)(=O)c1ccc2occc2c1.Cc1cc(CN(CC[C@H](NS(=O)(=O)c2ccc3occc3c2)C(=O)N(CC(C)C)CC(C)C)S(C)(=O)=O)nn1C.Cc1cc(CN([C@@H](CC(C)C)C(=O)N(CC(C)C)CC(C)C)S(=O)(=O)c2ccc3occc3c2)n(C)n1.Cc1nc(CN([C@@H](CC(C)C)C(=O)N(CC(C)C)CC(C)C)S(=O)(=O)c2ccc3occc3c2)cs1
InChIInChI=1S/C28H42N4O4S.C27H41N5O6S2.C27H39N3O4S2.C19H28N2O4S/c1-19(2)13-26(28(33)31(16-20(3)4)17-21(5)6)32(18-24-14-22(7)29-30(24)8)37(34,35)25-9-10-27-23(15-25)11-12-36-27;1-19(2)16-31(17-20(3)4)27(33)25(29-40(36,37)24-8-9-26-22(15-24)11-13-38-26)10-12-32(39(7,34)35)18-23-14-21(5)30(6)28-23;1-18(2)12-25(27(31)29(14-19(3)4)15-20(5)6)30(16-23-17-35-21(7)28-23)36(32,33)24-8-9-26-22(13-24)10-11-34-26;1-13(2)11-21(12-14(3)4)19(22)15(5)20-26(23,24)17-6-7-18-16(10-17)8-9-25-18/h9-12,14-15,19-21,26H,13,16-18H2,1-8H3;8-9,11,13-15,19-20,25,29H,10,12,16-18H2,1-7H3;8-11,13,17-20,25H,12,14-16H2,1-7H3;6-10,13-15,20H,11-12H2,1-5H3/t26-;2*25-;15-/m0000/s1
InChIKeyUABKNQIHBHLNJL-RGIJUTNOSA-N
XLogP17.52
TPSA386.81 Ų
H-Bond Donors2
H-Bond Acceptors24
Rotatable Bonds46
Heavy Atoms139
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002040.79
LogP ≤ 517.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1024

Analyze (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 with MolForge

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Related Compounds

(2S)-2-(1-benzofuran-5-ylsulfonylamino)-4-[bis[(1,5-dimethylpyrazol-3-yl)methyl]amino]-N,N-bis(2-methylpropyl)butanamide
CID 44199552
(2S)-2-(1-benzofuran-5-ylsulfonylamino)-6-[bis[(1,5-dimethylpyrazol-3-yl)methyl]amino]-N,N-bis(2-methylpropyl)hexanamide
CID 44200626
(2S)-2-(1-benzofuran-5-ylsulfonylamino)-N',N'-bis[(1,5-dimethylpyrazol-3-yl)methyl]-N,N-bis(2-methylpropyl)butanediamide
CID 44200841
(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)-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
CID 58276839
2-(1-benzofuran-5-ylsulfonylamino)-6-[bis[(1,5-dimethylpyrazol-3-yl)methyl]amino]-N,N-bis(2-methylpropyl)hexanamide
CID 67152948
(2S)-2-[1-benzofuran-5-ylsulfonyl(1,3-thiazol-5-ylmethyl)amino]-N-[(2,5-dimethylpyrazol-3-yl)methyl]-N-(2-methylpropyl)propanamide
CID 122436187
(2S)-2-[1-benzofuran-5-ylsulfonyl-[(5-methyl-1H-pyrazol-3-yl)methyl]amino]-N-(2-methylpropyl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]propanamide
CID 155119583
(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)-N,N-bis(2-methylpropyl)-3-pyridin-2-ylpropanamide;(2S)-2-(1-benzofuran-5-ylsulfonylamino)-6-[bis[(2-methyl-1,3-thiazol-4-yl)methyl]amino]-N,N-bis(2-methylpropyl)hexanamide;(2S)-2-(1-benzofuran-5-ylsulfonylamino)-4-(dibenzylamino)-N,N-bis(2-methylpropyl)butanamide;(2S)-2-(1-benzofuran-5-ylsulfonylamino)-3-(3-methylimidazol-4-yl)-N,N-bis(2-methylpropyl)propanamide
CID 157784885
(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

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is CC(C)CN(CC(C)C)C(=O)[C@H](C)NS(=O)(=O)c1ccc2occc2c1.Cc1cc(CN(CC[C@H](NS(=O)(=O)c2ccc3occc3c2)C(=O)N(CC(C)C)CC(C)C)S(C)(=O)=O)nn1C.Cc1cc(CN([C@@H](CC(C)C)C(=O)N(CC(C)C)CC(C)C)S(=O)(=O)c2ccc3occc3c2)n(C)n1.Cc1nc(CN([C@@H](CC(C)C)C(=O)N(CC(C)C)CC(C)C)S(=O)(=O)c2ccc3occc3c2)cs1.
What is the InChIKey of (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?
The InChIKey is UABKNQIHBHLNJL-RGIJUTNOSA-N. The full InChI is InChI=1S/C28H42N4O4S.C27H41N5O6S2.C27H39N3O4S2.C19H28N2O4S/c1-19(2)13-26(28(33)31(16-20(3)4)17-21(5)6)32(18-24-14-22(7)29-30(24)8)37(34,35)25-9-10-27-23(15-25)11-12-36-27;1-19(2)16-31(17-20(3)4)27(33)25(29-40(36,37)24-8-9-26-22(15-24)11-13-38-26)10-12-32(39(7,34)35)18-23-14-21(5)30(6)28-23;1-18(2)12-25(27(31)29(14-19(3)4)15-20(5)6)30(16-23-17-35-21(7)28-23)36(32,33)24-8-9-26-22(13-24)10-11-34-26;1-13(2)11-21(12-14(3)4)19(22)15(5)20-26(23,24)17-6-7-18-16(10-17)8-9-25-18/h9-12,14-15,19-21,26H,13,16-18H2,1-8H3;8-9,11,13-15,19-20,25,29H,10,12,16-18H2,1-7H3;8-11,13,17-20,25H,12,14-16H2,1-7H3;6-10,13-15,20H,11-12H2,1-5H3/t26-;2*25-;15-/m0000/s1.
What are the key properties of (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?
(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 has a molecular weight of 2040.79 g/mol, XLogP of 17.52, 46 rotatable bonds, 2 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 161034465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).