4-[[2-[benzenesulfonyl(2-phenylethyl)amino]acetyl]amino]benzamide

C23H23N3O4S — CID 45374448

IUPAC4-[[2-[benzenesulfonyl(2-phenylethyl)amino]acetyl]amino]benzamide
SMILESNC(=O)c1ccc(NC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C23H23N3O4S/c24-23(28)19-11-13-20(14-12-19)25-22(27)17-26(16-15-18-7-3-1-4-8-18)31(29,30)21-9-5-2-6-10-21/h1-14H,15-17H2,(H2,24,28)(H,25,27)
InChIKeyOLJHLZXCPPTIPB-UHFFFAOYSA-N
MW437.52 g/mol
LogP2.66
Rot. Bonds9

About 4-[[2-[benzenesulfonyl(2-phenylethyl)amino]acetyl]amino]benzamide

4-[[2-[benzenesulfonyl(2-phenylethyl)amino]acetyl]amino]benzamide (PubChem CID 45374448) has the molecular formula C23H23N3O4S and a molecular weight of 437.52 g/mol. Its IUPAC name is 4-[[2-[benzenesulfonyl(2-phenylethyl)amino]acetyl]amino]benzamide.

Molecular Properties

Compound Name4-[[2-[benzenesulfonyl(2-phenylethyl)amino]acetyl]amino]benzamide
PubChem CID45374448
Molecular FormulaC23H23N3O4S
Molecular Weight437.52 g/mol
Exact Mass437.14
IUPAC Name4-[[2-[benzenesulfonyl(2-phenylethyl)amino]acetyl]amino]benzamide
SMILESNC(=O)c1ccc(NC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C23H23N3O4S/c24-23(28)19-11-13-20(14-12-19)25-22(27)17-26(16-15-18-7-3-1-4-8-18)31(29,30)21-9-5-2-6-10-21/h1-14H,15-17H2,(H2,24,28)(H,25,27)
InChIKeyOLJHLZXCPPTIPB-UHFFFAOYSA-N
XLogP2.66
TPSA109.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.52
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[benzenesulfonyl(2-phenylethyl)amino]-N-(3,4-difluorophenyl)acetamide
CID 28543265
2-[benzenesulfonyl(2-phenylethyl)amino]-N-(3-cyanophenyl)acetamide
CID 100789747
N-(3-methylphenyl)-2-[(4-methylphenyl)sulfonyl-(2-phenylethyl)amino]acetamide
CID 1232004
2-[benzenesulfonyl(2-phenylethyl)amino]-N-(2,6-dimethylphenyl)acetamide
CID 1123794
N-(3-acetylphenyl)-2-[(4-chlorophenyl)sulfonyl-(2-phenylethyl)amino]acetamide
CID 1311794
N-(3-chloro-4-fluorophenyl)-2-[(4-chlorophenyl)sulfonyl-(2-phenylethyl)amino]acetamide
CID 1331412
4-(3-phenylpropanoylamino)benzamide
CID 675903
4-[[2-[(3-methylphenyl)methyl-(4-methylphenyl)sulfonylamino]acetyl]amino]benzamide
CID 126069872
2-[benzenesulfonyl(benzyl)amino]-N-(4-methylphenyl)acetamide
CID 2854852
N-(4-butylphenyl)-2-[(3,4-dimethoxyphenyl)sulfonyl-(2-phenylethyl)amino]acetamide
CID 126395918
2-[(4-bromophenyl)sulfonyl-(2-phenylethyl)amino]-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]acetamide
CID 99967163
methyl 4-[(Z)-[[2-[benzenesulfonyl(2-phenylethyl)amino]acetyl]hydrazinylidene]methyl]benzoate
CID 92511490

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[benzenesulfonyl(2-phenylethyl)amino]acetyl]amino]benzamide?
The IUPAC name of 4-[[2-[benzenesulfonyl(2-phenylethyl)amino]acetyl]amino]benzamide (CID 45374448) is 4-[[2-[benzenesulfonyl(2-phenylethyl)amino]acetyl]amino]benzamide.
What is the SMILES notation for 4-[[2-[benzenesulfonyl(2-phenylethyl)amino]acetyl]amino]benzamide?
The canonical SMILES for 4-[[2-[benzenesulfonyl(2-phenylethyl)amino]acetyl]amino]benzamide is NC(=O)c1ccc(NC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of 4-[[2-[benzenesulfonyl(2-phenylethyl)amino]acetyl]amino]benzamide?
The InChIKey is OLJHLZXCPPTIPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O4S/c24-23(28)19-11-13-20(14-12-19)25-22(27)17-26(16-15-18-7-3-1-4-8-18)31(29,30)21-9-5-2-6-10-21/h1-14H,15-17H2,(H2,24,28)(H,25,27).
What are the key properties of 4-[[2-[benzenesulfonyl(2-phenylethyl)amino]acetyl]amino]benzamide?
4-[[2-[benzenesulfonyl(2-phenylethyl)amino]acetyl]amino]benzamide has a molecular weight of 437.52 g/mol, XLogP of 2.66, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[benzenesulfonyl(2-phenylethyl)amino]acetyl]amino]benzamide is sourced from PubChem (CID 45374448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).