2-[[2-[benzenesulfonyl(methyl)amino]benzoyl]amino]-N-[(1S)-1-phenylethyl]benzamide

C29H27N3O4S — CID 2207753

IUPAC2-[[2-[benzenesulfonyl(methyl)amino]benzoyl]amino]-N-[(1S)-1-phenylethyl]benzamide
SMILESC[C@H](NC(=O)c1ccccc1NC(=O)c1ccccc1N(C)S(=O)(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C29H27N3O4S/c1-21(22-13-5-3-6-14-22)30-28(33)24-17-9-11-19-26(24)31-29(34)25-18-10-12-20-27(25)32(2)37(35,36)23-15-7-4-8-16-23/h3-21H,1-2H3,(H,30,33)(H,31,34)/t21-/m0/s1
InChIKeyUBTLSLHYCPUHIF-NRFANRHFSA-N
MW513.62 g/mol
LogP5.26
Rot. Bonds8

About 2-[[2-[benzenesulfonyl(methyl)amino]benzoyl]amino]-N-[(1S)-1-phenylethyl]benzamide

2-[[2-[benzenesulfonyl(methyl)amino]benzoyl]amino]-N-[(1S)-1-phenylethyl]benzamide (PubChem CID 2207753) has the molecular formula C29H27N3O4S and a molecular weight of 513.62 g/mol. Its IUPAC name is 2-[[2-[benzenesulfonyl(methyl)amino]benzoyl]amino]-N-[(1S)-1-phenylethyl]benzamide.

Molecular Properties

Compound Name2-[[2-[benzenesulfonyl(methyl)amino]benzoyl]amino]-N-[(1S)-1-phenylethyl]benzamide
PubChem CID2207753
Molecular FormulaC29H27N3O4S
Molecular Weight513.62 g/mol
Exact Mass513.17
IUPAC Name2-[[2-[benzenesulfonyl(methyl)amino]benzoyl]amino]-N-[(1S)-1-phenylethyl]benzamide
SMILESC[C@H](NC(=O)c1ccccc1NC(=O)c1ccccc1N(C)S(=O)(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C29H27N3O4S/c1-21(22-13-5-3-6-14-22)30-28(33)24-17-9-11-19-26(24)31-29(34)25-18-10-12-20-27(25)32(2)37(35,36)23-15-7-4-8-16-23/h3-21H,1-2H3,(H,30,33)(H,31,34)/t21-/m0/s1
InChIKeyUBTLSLHYCPUHIF-NRFANRHFSA-N
XLogP5.26
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.62
LogP ≤ 55.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[benzenesulfonyl(methyl)amino]-N-[1-(4-methylphenyl)ethyl]benzamide
CID 43910382
2-[[2-[benzyl-(4-methylphenyl)sulfonylamino]benzoyl]amino]-N-[(1R)-1-phenylethyl]benzamide
CID 126116430
2-[[2-[N-(benzenesulfonyl)-2-methylanilino]acetyl]amino]-N-[(1S)-1-phenylethyl]benzamide
CID 126136076
2-[benzenesulfonyl(methyl)amino]-N-[2-(trifluoromethyl)phenyl]benzamide
CID 1294778
N-[(1S)-1-(4-ethylphenyl)ethyl]-2-[methyl-(4-methylphenyl)sulfonylamino]benzamide
CID 100756077
2-[[4-[benzenesulfonyl(methyl)amino]benzoyl]amino]-N-butan-2-ylbenzamide
CID 2943385
2-N,6-N-bis[2-[[2-[[(1R)-1-phenylethyl]carbamoyl]phenyl]carbamoyl]phenyl]pyridine-2,6-dicarboxamide
CID 102216654
2-[benzenesulfonyl(methyl)amino]-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]benzamide
CID 92673178
2-[(2-bromobenzoyl)amino]-N-(1-phenylethyl)benzamide
CID 4935078
2-[[2-[N-(benzenesulfonyl)-4-iodoanilino]acetyl]amino]-N-[(1R)-1-phenylethyl]benzamide
CID 126182722
N-[(1S)-1-(4-fluorophenyl)ethyl]-2-[methyl(methylsulfonyl)amino]benzamide
CID 28635604
2-[[2-[(4-methoxyphenyl)sulfonyl-methylamino]acetyl]amino]-N-[(1S)-1-phenylethyl]benzamide
CID 31471529

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[benzenesulfonyl(methyl)amino]benzoyl]amino]-N-[(1S)-1-phenylethyl]benzamide?
The IUPAC name of 2-[[2-[benzenesulfonyl(methyl)amino]benzoyl]amino]-N-[(1S)-1-phenylethyl]benzamide (CID 2207753) is 2-[[2-[benzenesulfonyl(methyl)amino]benzoyl]amino]-N-[(1S)-1-phenylethyl]benzamide.
What is the SMILES notation for 2-[[2-[benzenesulfonyl(methyl)amino]benzoyl]amino]-N-[(1S)-1-phenylethyl]benzamide?
The canonical SMILES for 2-[[2-[benzenesulfonyl(methyl)amino]benzoyl]amino]-N-[(1S)-1-phenylethyl]benzamide is C[C@H](NC(=O)c1ccccc1NC(=O)c1ccccc1N(C)S(=O)(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of 2-[[2-[benzenesulfonyl(methyl)amino]benzoyl]amino]-N-[(1S)-1-phenylethyl]benzamide?
The InChIKey is UBTLSLHYCPUHIF-NRFANRHFSA-N. The full InChI is InChI=1S/C29H27N3O4S/c1-21(22-13-5-3-6-14-22)30-28(33)24-17-9-11-19-26(24)31-29(34)25-18-10-12-20-27(25)32(2)37(35,36)23-15-7-4-8-16-23/h3-21H,1-2H3,(H,30,33)(H,31,34)/t21-/m0/s1.
What are the key properties of 2-[[2-[benzenesulfonyl(methyl)amino]benzoyl]amino]-N-[(1S)-1-phenylethyl]benzamide?
2-[[2-[benzenesulfonyl(methyl)amino]benzoyl]amino]-N-[(1S)-1-phenylethyl]benzamide has a molecular weight of 513.62 g/mol, XLogP of 5.26, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[benzenesulfonyl(methyl)amino]benzoyl]amino]-N-[(1S)-1-phenylethyl]benzamide is sourced from PubChem (CID 2207753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).