2-[2-[(benzylcarbamothioylamino)methyl]phenyl]-N-(3-pyrrol-1-ylpropyl)benzamide;benzyl N-[[2-[2-[[1-oxo-1-(propan-2-ylamino)-3-pyridin-2-ylpropan-2-yl]carbamoyl]phenyl]phenyl]methyl]carbamate;2-[2-[[(4-methoxybenzoyl)amino]methyl]phenyl]-N-[(2S)-4-methyl-1-oxo-1-(2,2,2-trifluoroethylamino)pentan-2-yl]benzamide;2-[2-[[(4-methoxyphenyl)sulfonylamino]methyl]phenyl]-N-[(2S)-4-methyl-1-oxo-1-(2,2,2-trifluoroethylamino)pentan-2-yl]benzamide;N-[(2S)-4-methyl-1-oxo-1-(2,2,2-trifluoroethylamino)pentan-2-yl]-2-[2-[(3-phenylpropanoylamino)methyl]phenyl]benzamide;2-[2-[(phenylcarbamothioylamino)methyl]phenyl]-N-(2-pyridin-2-ylethyl)benzamide

C180H188F9N21O18S3 — CID 91339906

IUPAC2-[2-[(benzylcarbamothioylamino)methyl]phenyl]-N-(3-pyrrol-1-ylpropyl)benzamide;benzyl N-[[2-[2-[[1-oxo-1-(propan-2-ylamino)-3-pyridin-2-ylpropan-2-yl]carbamoyl]phenyl]phenyl]methyl]carbamate;2-[2-[[(4-methoxybenzoyl)amino]methyl]phenyl]-N-[(2S)-4-methyl-1-oxo-1-(2,2,2-trifluoroethylamino)pentan-2-yl]benzamide;2-[2-[[(4-methoxyphenyl)sulfonylamino]methyl]phenyl]-N-[(2S)-4-methyl-1-oxo-1-(2,2,2-trifluoroethylamino)pentan-2-yl]benzamide;N-[(2S)-4-methyl-1-oxo-1-(2,2,2-trifluoroethylamino)pentan-2-yl]-2-[2-[(3-phenylpropanoylamino)methyl]phenyl]benzamide;2-[2-[(phenylcarbamothioylamino)methyl]phenyl]-N-(2-pyridin-2-ylethyl)benzamide
SMILESCC(C)C[C@H](NC(=O)c1ccccc1-c1ccccc1CNC(=O)CCc1ccccc1)C(=O)NCC(F)(F)F.CC(C)NC(=O)C(Cc1ccccn1)NC(=O)c1ccccc1-c1ccccc1CNC(=O)OCc1ccccc1.COc1ccc(C(=O)NCc2ccccc2-c2ccccc2C(=O)N[C@@H](CC(C)C)C(=O)NCC(F)(F)F)cc1.COc1ccc(S(=O)(=O)NCc2ccccc2-c2ccccc2C(=O)N[C@@H](CC(C)C)C(=O)NCC(F)(F)F)cc1.O=C(NCCCn1cccc1)c1ccccc1-c1ccccc1CNC(=S)NCc1ccccc1.O=C(NCCc1ccccn1)c1ccccc1-c1ccccc1CNC(=S)Nc1ccccc1
InChIInChI=1S/C33H34N4O4.C31H34F3N3O3.C30H32F3N3O4.C29H32F3N3O5S.C29H30N4OS.C28H26N4OS/c1-23(2)36-32(39)30(20-26-15-10-11-19-34-26)37-31(38)29-18-9-8-17-28(29)27-16-7-6-14-25(27)21-35-33(40)41-22-24-12-4-3-5-13-24;1-21(2)18-27(30(40)36-20-31(32,33)34)37-29(39)26-15-9-8-14-25(26)24-13-7-6-12-23(24)19-35-28(38)17-16-22-10-4-3-5-11-22;1-19(2)16-26(29(39)35-18-30(31,32)33)36-28(38)25-11-7-6-10-24(25)23-9-5-4-8-21(23)17-34-27(37)20-12-14-22(40-3)15-13-20;1-19(2)16-26(28(37)33-18-29(30,31)32)35-27(36)25-11-7-6-10-24(25)23-9-5-4-8-20(23)17-34-41(38,39)22-14-12-21(40-3)13-15-22;34-28(30-17-10-20-33-18-8-9-19-33)27-16-7-6-15-26(27)25-14-5-4-13-24(25)22-32-29(35)31-21-23-11-2-1-3-12-23;33-27(30-19-17-22-11-8-9-18-29-22)26-16-7-6-15-25(26)24-14-5-4-10-21(24)20-31-28(34)32-23-12-2-1-3-13-23/h3-19,23,30H,20-22H2,1-2H3,(H,35,40)(H,36,39)(H,37,38);3-15,21,27H,16-20H2,1-2H3,(H,35,38)(H,36,40)(H,37,39);4-15,19,26H,16-18H2,1-3H3,(H,34,37)(H,35,39)(H,36,38);4-15,19,26,34H,16-18H2,1-3H3,(H,33,37)(H,35,36);1-9,11-16,18-19H,10,17,20-22H2,(H,30,34)(H2,31,32,35);1-16,18H,17,19-20H2,(H,30,33)(H2,31,32,34)/t;27-;2*26-;;/m.000../s1
InChIKeySKTVJJNUGYPURT-BEVGEGQWSA-N
MW3200.80 g/mol
LogP30.59
Rot. Bonds64

About 2-[2-[(benzylcarbamothioylamino)methyl]phenyl]-N-(3-pyrrol-1-ylpropyl)benzamide;benzyl N-[[2-[2-[[1-oxo-1-(propan-2-ylamino)-3-pyridin-2-ylpropan-2-yl]carbamoyl]phenyl]phenyl]methyl]carbamate;2-[2-[[(4-methoxybenzoyl)amino]methyl]phenyl]-N-[(2S)-4-methyl-1-oxo-1-(2,2,2-trifluoroethylamino)pentan-2-yl]benzamide;2-[2-[[(4-methoxyphenyl)sulfonylamino]methyl]phenyl]-N-[(2S)-4-methyl-1-oxo-1-(2,2,2-trifluoroethylamino)pentan-2-yl]benzamide;N-[(2S)-4-methyl-1-oxo-1-(2,2,2-trifluoroethylamino)pentan-2-yl]-2-[2-[(3-phenylpropanoylamino)methyl]phenyl]benzamide;2-[2-[(phenylcarbamothioylamino)methyl]phenyl]-N-(2-pyridin-2-ylethyl)benzamide

2-[2-[(benzylcarbamothioylamino)methyl]phenyl]-N-(3-pyrrol-1-ylpropyl)benzamide;benzyl N-[[2-[2-[[1-oxo-1-(propan-2-ylamino)-3-pyridin-2-ylpropan-2-yl]carbamoyl]phenyl]phenyl]methyl]carbamate;2-[2-[[(4-methoxybenzoyl)amino]methyl]phenyl]-N-[(2S)-4-methyl-1-oxo-1-(2,2,2-trifluoroethylamino)pentan-2-yl]benzamide;2-[2-[[(4-methoxyphenyl)sulfonylamino]methyl]phenyl]-N-[(2S)-4-methyl-1-oxo-1-(2,2,2-trifluoroethylamino)pentan-2-yl]benzamide;N-[(2S)-4-methyl-1-oxo-1-(2,2,2-trifluoroethylamino)pentan-2-yl]-2-[2-[(3-phenylpropanoylamino)methyl]phenyl]benzamide;2-[2-[(phenylcarbamothioylamino)methyl]phenyl]-N-(2-pyridin-2-ylethyl)benzamide (PubChem CID 91339906) has the molecular formula C180H188F9N21O18S3 and a molecular weight of 3200.80 g/mol. Its IUPAC name is 2-[2-[(benzylcarbamothioylamino)methyl]phenyl]-N-(3-pyrrol-1-ylpropyl)benzamide;benzyl N-[[2-[2-[[1-oxo-1-(propan-2-ylamino)-3-pyridin-2-ylpropan-2-yl]carbamoyl]phenyl]phenyl]methyl]carbamate;2-[2-[[(4-methoxybenzoyl)amino]methyl]phenyl]-N-[(2S)-4-methyl-1-oxo-1-(2,2,2-trifluoroethylamino)pentan-2-yl]benzamide;2-[2-[[(4-methoxyphenyl)sulfonylamino]methyl]phenyl]-N-[(2S)-4-methyl-1-oxo-1-(2,2,2-trifluoroethylamino)pentan-2-yl]benzamide;N-[(2S)-4-methyl-1-oxo-1-(2,2,2-trifluoroethylamino)pentan-2-yl]-2-[2-[(3-phenylpropanoylamino)methyl]phenyl]benzamide;2-[2-[(phenylcarbamothioylamino)methyl]phenyl]-N-(2-pyridin-2-ylethyl)benzamide.

Molecular Properties

Compound Name2-[2-[(benzylcarbamothioylamino)methyl]phenyl]-N-(3-pyrrol-1-ylpropyl)benzamide;benzyl N-[[2-[2-[[1-oxo-1-(propan-2-ylamino)-3-pyridin-2-ylpropan-2-yl]carbamoyl]phenyl]phenyl]methyl]carbamate;2-[2-[[(4-methoxybenzoyl)amino]methyl]phenyl]-N-[(2S)-4-methyl-1-oxo-1-(2,2,2-trifluoroethylamino)pentan-2-yl]benzamide;2-[2-[[(4-methoxyphenyl)sulfonylamino]methyl]phenyl]-N-[(2S)-4-methyl-1-oxo-1-(2,2,2-trifluoroethylamino)pentan-2-yl]benzamide;N-[(2S)-4-methyl-1-oxo-1-(2,2,2-trifluoroethylamino)pentan-2-yl]-2-[2-[(3-phenylpropanoylamino)methyl]phenyl]benzamide;2-[2-[(phenylcarbamothioylamino)methyl]phenyl]-N-(2-pyridin-2-ylethyl)benzamide
PubChem CID91339906
Molecular FormulaC180H188F9N21O18S3
Molecular Weight3200.80 g/mol
Exact Mass3198.35
IUPAC Name2-[2-[(benzylcarbamothioylamino)methyl]phenyl]-N-(3-pyrrol-1-ylpropyl)benzamide;benzyl N-[[2-[2-[[1-oxo-1-(propan-2-ylamino)-3-pyridin-2-ylpropan-2-yl]carbamoyl]phenyl]phenyl]methyl]carbamate;2-[2-[[(4-methoxybenzoyl)amino]methyl]phenyl]-N-[(2S)-4-methyl-1-oxo-1-(2,2,2-trifluoroethylamino)pentan-2-yl]benzamide;2-[2-[[(4-methoxyphenyl)sulfonylamino]methyl]phenyl]-N-[(2S)-4-methyl-1-oxo-1-(2,2,2-trifluoroethylamino)pentan-2-yl]benzamide;N-[(2S)-4-methyl-1-oxo-1-(2,2,2-trifluoroethylamino)pentan-2-yl]-2-[2-[(3-phenylpropanoylamino)methyl]phenyl]benzamide;2-[2-[(phenylcarbamothioylamino)methyl]phenyl]-N-(2-pyridin-2-ylethyl)benzamide
SMILESCC(C)C[C@H](NC(=O)c1ccccc1-c1ccccc1CNC(=O)CCc1ccccc1)C(=O)NCC(F)(F)F.CC(C)NC(=O)C(Cc1ccccn1)NC(=O)c1ccccc1-c1ccccc1CNC(=O)OCc1ccccc1.COc1ccc(C(=O)NCc2ccccc2-c2ccccc2C(=O)N[C@@H](CC(C)C)C(=O)NCC(F)(F)F)cc1.COc1ccc(S(=O)(=O)NCc2ccccc2-c2ccccc2C(=O)N[C@@H](CC(C)C)C(=O)NCC(F)(F)F)cc1.O=C(NCCCn1cccc1)c1ccccc1-c1ccccc1CNC(=S)NCc1ccccc1.O=C(NCCc1ccccn1)c1ccccc1-c1ccccc1CNC(=S)Nc1ccccc1
InChIInChI=1S/C33H34N4O4.C31H34F3N3O3.C30H32F3N3O4.C29H32F3N3O5S.C29H30N4OS.C28H26N4OS/c1-23(2)36-32(39)30(20-26-15-10-11-19-34-26)37-31(38)29-18-9-8-17-28(29)27-16-7-6-14-25(27)21-35-33(40)41-22-24-12-4-3-5-13-24;1-21(2)18-27(30(40)36-20-31(32,33)34)37-29(39)26-15-9-8-14-25(26)24-13-7-6-12-23(24)19-35-28(38)17-16-22-10-4-3-5-11-22;1-19(2)16-26(29(39)35-18-30(31,32)33)36-28(38)25-11-7-6-10-24(25)23-9-5-4-8-21(23)17-34-27(37)20-12-14-22(40-3)15-13-20;1-19(2)16-26(28(37)33-18-29(30,31)32)35-27(36)25-11-7-6-10-24(25)23-9-5-4-8-20(23)17-34-41(38,39)22-14-12-21(40-3)13-15-22;34-28(30-17-10-20-33-18-8-9-19-33)27-16-7-6-15-26(27)25-14-5-4-13-24(25)22-32-29(35)31-21-23-11-2-1-3-12-23;33-27(30-19-17-22-11-8-9-18-29-22)26-16-7-6-15-25(26)24-14-5-4-10-21(24)20-31-28(34)32-23-12-2-1-3-13-23/h3-19,23,30H,20-22H2,1-2H3,(H,35,40)(H,36,39)(H,37,38);3-15,21,27H,16-20H2,1-2H3,(H,35,38)(H,36,40)(H,37,39);4-15,19,26H,16-18H2,1-3H3,(H,34,37)(H,35,39)(H,36,38);4-15,19,26,34H,16-18H2,1-3H3,(H,33,37)(H,35,36);1-9,11-16,18-19H,10,17,20-22H2,(H,30,34)(H2,31,32,35);1-16,18H,17,19-20H2,(H,30,33)(H2,31,32,34)/t;27-;2*26-;;/m.000../s1
InChIKeySKTVJJNUGYPURT-BEVGEGQWSA-N
XLogP30.59
TPSA530.99 Ų
H-Bond Donors18
H-Bond Acceptors23
Rotatable Bonds64
Heavy Atoms231
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003200.80
LogP ≤ 530.59
H-Bond Donors ≤ 518
H-Bond Acceptors ≤ 1023

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 2-[2-[(benzylcarbamothioylamino)methyl]phenyl]-N-(3-pyrrol-1-ylpropyl)benzamide;benzyl N-[[2-[2-[[1-oxo-1-(propan-2-ylamino)-3-pyridin-2-ylpropan-2-yl]carbamoyl]phenyl]phenyl]methyl]carbamate;2-[2-[[(4-methoxybenzoyl)amino]methyl]phenyl]-N-[(2S)-4-methyl-1-oxo-1-(2,2,2-trifluoroethylamino)pentan-2-yl]benzamide;2-[2-[[(4-methoxyphenyl)sulfonylamino]methyl]phenyl]-N-[(2S)-4-methyl-1-oxo-1-(2,2,2-trifluoroethylamino)pentan-2-yl]benzamide;N-[(2S)-4-methyl-1-oxo-1-(2,2,2-trifluoroethylamino)pentan-2-yl]-2-[2-[(3-phenylpropanoylamino)methyl]phenyl]benzamide;2-[2-[(phenylcarbamothioylamino)methyl]phenyl]-N-(2-pyridin-2-ylethyl)benzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(benzylcarbamothioylamino)methyl]phenyl]-N-(3-pyrrol-1-ylpropyl)benzamide;benzyl N-[[2-[2-[[1-oxo-1-(propan-2-ylamino)-3-pyridin-2-ylpropan-2-yl]carbamoyl]phenyl]phenyl]methyl]carbamate;2-[2-[[(4-methoxybenzoyl)amino]methyl]phenyl]-N-[(2S)-4-methyl-1-oxo-1-(2,2,2-trifluoroethylamino)pentan-2-yl]benzamide;2-[2-[[(4-methoxyphenyl)sulfonylamino]methyl]phenyl]-N-[(2S)-4-methyl-1-oxo-1-(2,2,2-trifluoroethylamino)pentan-2-yl]benzamide;N-[(2S)-4-methyl-1-oxo-1-(2,2,2-trifluoroethylamino)pentan-2-yl]-2-[2-[(3-phenylpropanoylamino)methyl]phenyl]benzamide;2-[2-[(phenylcarbamothioylamino)methyl]phenyl]-N-(2-pyridin-2-ylethyl)benzamide?
The IUPAC name of 2-[2-[(benzylcarbamothioylamino)methyl]phenyl]-N-(3-pyrrol-1-ylpropyl)benzamide;benzyl N-[[2-[2-[[1-oxo-1-(propan-2-ylamino)-3-pyridin-2-ylpropan-2-yl]carbamoyl]phenyl]phenyl]methyl]carbamate;2-[2-[[(4-methoxybenzoyl)amino]methyl]phenyl]-N-[(2S)-4-methyl-1-oxo-1-(2,2,2-trifluoroethylamino)pentan-2-yl]benzamide;2-[2-[[(4-methoxyphenyl)sulfonylamino]methyl]phenyl]-N-[(2S)-4-methyl-1-oxo-1-(2,2,2-trifluoroethylamino)pentan-2-yl]benzamide;N-[(2S)-4-methyl-1-oxo-1-(2,2,2-trifluoroethylamino)pentan-2-yl]-2-[2-[(3-phenylpropanoylamino)methyl]phenyl]benzamide;2-[2-[(phenylcarbamothioylamino)methyl]phenyl]-N-(2-pyridin-2-ylethyl)benzamide (CID 91339906) is 2-[2-[(benzylcarbamothioylamino)methyl]phenyl]-N-(3-pyrrol-1-ylpropyl)benzamide;benzyl N-[[2-[2-[[1-oxo-1-(propan-2-ylamino)-3-pyridin-2-ylpropan-2-yl]carbamoyl]phenyl]phenyl]methyl]carbamate;2-[2-[[(4-methoxybenzoyl)amino]methyl]phenyl]-N-[(2S)-4-methyl-1-oxo-1-(2,2,2-trifluoroethylamino)pentan-2-yl]benzamide;2-[2-[[(4-methoxyphenyl)sulfonylamino]methyl]phenyl]-N-[(2S)-4-methyl-1-oxo-1-(2,2,2-trifluoroethylamino)pentan-2-yl]benzamide;N-[(2S)-4-methyl-1-oxo-1-(2,2,2-trifluoroethylamino)pentan-2-yl]-2-[2-[(3-phenylpropanoylamino)methyl]phenyl]benzamide;2-[2-[(phenylcarbamothioylamino)methyl]phenyl]-N-(2-pyridin-2-ylethyl)benzamide.
What is the SMILES notation for 2-[2-[(benzylcarbamothioylamino)methyl]phenyl]-N-(3-pyrrol-1-ylpropyl)benzamide;benzyl N-[[2-[2-[[1-oxo-1-(propan-2-ylamino)-3-pyridin-2-ylpropan-2-yl]carbamoyl]phenyl]phenyl]methyl]carbamate;2-[2-[[(4-methoxybenzoyl)amino]methyl]phenyl]-N-[(2S)-4-methyl-1-oxo-1-(2,2,2-trifluoroethylamino)pentan-2-yl]benzamide;2-[2-[[(4-methoxyphenyl)sulfonylamino]methyl]phenyl]-N-[(2S)-4-methyl-1-oxo-1-(2,2,2-trifluoroethylamino)pentan-2-yl]benzamide;N-[(2S)-4-methyl-1-oxo-1-(2,2,2-trifluoroethylamino)pentan-2-yl]-2-[2-[(3-phenylpropanoylamino)methyl]phenyl]benzamide;2-[2-[(phenylcarbamothioylamino)methyl]phenyl]-N-(2-pyridin-2-ylethyl)benzamide?
The canonical SMILES for 2-[2-[(benzylcarbamothioylamino)methyl]phenyl]-N-(3-pyrrol-1-ylpropyl)benzamide;benzyl N-[[2-[2-[[1-oxo-1-(propan-2-ylamino)-3-pyridin-2-ylpropan-2-yl]carbamoyl]phenyl]phenyl]methyl]carbamate;2-[2-[[(4-methoxybenzoyl)amino]methyl]phenyl]-N-[(2S)-4-methyl-1-oxo-1-(2,2,2-trifluoroethylamino)pentan-2-yl]benzamide;2-[2-[[(4-methoxyphenyl)sulfonylamino]methyl]phenyl]-N-[(2S)-4-methyl-1-oxo-1-(2,2,2-trifluoroethylamino)pentan-2-yl]benzamide;N-[(2S)-4-methyl-1-oxo-1-(2,2,2-trifluoroethylamino)pentan-2-yl]-2-[2-[(3-phenylpropanoylamino)methyl]phenyl]benzamide;2-[2-[(phenylcarbamothioylamino)methyl]phenyl]-N-(2-pyridin-2-ylethyl)benzamide is CC(C)C[C@H](NC(=O)c1ccccc1-c1ccccc1CNC(=O)CCc1ccccc1)C(=O)NCC(F)(F)F.CC(C)NC(=O)C(Cc1ccccn1)NC(=O)c1ccccc1-c1ccccc1CNC(=O)OCc1ccccc1.COc1ccc(C(=O)NCc2ccccc2-c2ccccc2C(=O)N[C@@H](CC(C)C)C(=O)NCC(F)(F)F)cc1.COc1ccc(S(=O)(=O)NCc2ccccc2-c2ccccc2C(=O)N[C@@H](CC(C)C)C(=O)NCC(F)(F)F)cc1.O=C(NCCCn1cccc1)c1ccccc1-c1ccccc1CNC(=S)NCc1ccccc1.O=C(NCCc1ccccn1)c1ccccc1-c1ccccc1CNC(=S)Nc1ccccc1.
What is the InChIKey of 2-[2-[(benzylcarbamothioylamino)methyl]phenyl]-N-(3-pyrrol-1-ylpropyl)benzamide;benzyl N-[[2-[2-[[1-oxo-1-(propan-2-ylamino)-3-pyridin-2-ylpropan-2-yl]carbamoyl]phenyl]phenyl]methyl]carbamate;2-[2-[[(4-methoxybenzoyl)amino]methyl]phenyl]-N-[(2S)-4-methyl-1-oxo-1-(2,2,2-trifluoroethylamino)pentan-2-yl]benzamide;2-[2-[[(4-methoxyphenyl)sulfonylamino]methyl]phenyl]-N-[(2S)-4-methyl-1-oxo-1-(2,2,2-trifluoroethylamino)pentan-2-yl]benzamide;N-[(2S)-4-methyl-1-oxo-1-(2,2,2-trifluoroethylamino)pentan-2-yl]-2-[2-[(3-phenylpropanoylamino)methyl]phenyl]benzamide;2-[2-[(phenylcarbamothioylamino)methyl]phenyl]-N-(2-pyridin-2-ylethyl)benzamide?
The InChIKey is SKTVJJNUGYPURT-BEVGEGQWSA-N. The full InChI is InChI=1S/C33H34N4O4.C31H34F3N3O3.C30H32F3N3O4.C29H32F3N3O5S.C29H30N4OS.C28H26N4OS/c1-23(2)36-32(39)30(20-26-15-10-11-19-34-26)37-31(38)29-18-9-8-17-28(29)27-16-7-6-14-25(27)21-35-33(40)41-22-24-12-4-3-5-13-24;1-21(2)18-27(30(40)36-20-31(32,33)34)37-29(39)26-15-9-8-14-25(26)24-13-7-6-12-23(24)19-35-28(38)17-16-22-10-4-3-5-11-22;1-19(2)16-26(29(39)35-18-30(31,32)33)36-28(38)25-11-7-6-10-24(25)23-9-5-4-8-21(23)17-34-27(37)20-12-14-22(40-3)15-13-20;1-19(2)16-26(28(37)33-18-29(30,31)32)35-27(36)25-11-7-6-10-24(25)23-9-5-4-8-20(23)17-34-41(38,39)22-14-12-21(40-3)13-15-22;34-28(30-17-10-20-33-18-8-9-19-33)27-16-7-6-15-26(27)25-14-5-4-13-24(25)22-32-29(35)31-21-23-11-2-1-3-12-23;33-27(30-19-17-22-11-8-9-18-29-22)26-16-7-6-15-25(26)24-14-5-4-10-21(24)20-31-28(34)32-23-12-2-1-3-13-23/h3-19,23,30H,20-22H2,1-2H3,(H,35,40)(H,36,39)(H,37,38);3-15,21,27H,16-20H2,1-2H3,(H,35,38)(H,36,40)(H,37,39);4-15,19,26H,16-18H2,1-3H3,(H,34,37)(H,35,39)(H,36,38);4-15,19,26,34H,16-18H2,1-3H3,(H,33,37)(H,35,36);1-9,11-16,18-19H,10,17,20-22H2,(H,30,34)(H2,31,32,35);1-16,18H,17,19-20H2,(H,30,33)(H2,31,32,34)/t;27-;2*26-;;/m.000../s1.
What are the key properties of 2-[2-[(benzylcarbamothioylamino)methyl]phenyl]-N-(3-pyrrol-1-ylpropyl)benzamide;benzyl N-[[2-[2-[[1-oxo-1-(propan-2-ylamino)-3-pyridin-2-ylpropan-2-yl]carbamoyl]phenyl]phenyl]methyl]carbamate;2-[2-[[(4-methoxybenzoyl)amino]methyl]phenyl]-N-[(2S)-4-methyl-1-oxo-1-(2,2,2-trifluoroethylamino)pentan-2-yl]benzamide;2-[2-[[(4-methoxyphenyl)sulfonylamino]methyl]phenyl]-N-[(2S)-4-methyl-1-oxo-1-(2,2,2-trifluoroethylamino)pentan-2-yl]benzamide;N-[(2S)-4-methyl-1-oxo-1-(2,2,2-trifluoroethylamino)pentan-2-yl]-2-[2-[(3-phenylpropanoylamino)methyl]phenyl]benzamide;2-[2-[(phenylcarbamothioylamino)methyl]phenyl]-N-(2-pyridin-2-ylethyl)benzamide?
2-[2-[(benzylcarbamothioylamino)methyl]phenyl]-N-(3-pyrrol-1-ylpropyl)benzamide;benzyl N-[[2-[2-[[1-oxo-1-(propan-2-ylamino)-3-pyridin-2-ylpropan-2-yl]carbamoyl]phenyl]phenyl]methyl]carbamate;2-[2-[[(4-methoxybenzoyl)amino]methyl]phenyl]-N-[(2S)-4-methyl-1-oxo-1-(2,2,2-trifluoroethylamino)pentan-2-yl]benzamide;2-[2-[[(4-methoxyphenyl)sulfonylamino]methyl]phenyl]-N-[(2S)-4-methyl-1-oxo-1-(2,2,2-trifluoroethylamino)pentan-2-yl]benzamide;N-[(2S)-4-methyl-1-oxo-1-(2,2,2-trifluoroethylamino)pentan-2-yl]-2-[2-[(3-phenylpropanoylamino)methyl]phenyl]benzamide;2-[2-[(phenylcarbamothioylamino)methyl]phenyl]-N-(2-pyridin-2-ylethyl)benzamide has a molecular weight of 3200.80 g/mol, XLogP of 30.59, 64 rotatable bonds, 18 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(benzylcarbamothioylamino)methyl]phenyl]-N-(3-pyrrol-1-ylpropyl)benzamide;benzyl N-[[2-[2-[[1-oxo-1-(propan-2-ylamino)-3-pyridin-2-ylpropan-2-yl]carbamoyl]phenyl]phenyl]methyl]carbamate;2-[2-[[(4-methoxybenzoyl)amino]methyl]phenyl]-N-[(2S)-4-methyl-1-oxo-1-(2,2,2-trifluoroethylamino)pentan-2-yl]benzamide;2-[2-[[(4-methoxyphenyl)sulfonylamino]methyl]phenyl]-N-[(2S)-4-methyl-1-oxo-1-(2,2,2-trifluoroethylamino)pentan-2-yl]benzamide;N-[(2S)-4-methyl-1-oxo-1-(2,2,2-trifluoroethylamino)pentan-2-yl]-2-[2-[(3-phenylpropanoylamino)methyl]phenyl]benzamide;2-[2-[(phenylcarbamothioylamino)methyl]phenyl]-N-(2-pyridin-2-ylethyl)benzamide is sourced from PubChem (CID 91339906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).