N-benzyl-2-[[2-(3-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]benzamide

C30H28ClN3O4S — CID 126031695

IUPACN-benzyl-2-[[2-(3-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]benzamide
SMILESCc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2C(=O)NCc2ccccc2)c2cccc(Cl)c2C)cc1
InChIInChI=1S/C30H28ClN3O4S/c1-21-15-17-24(18-16-21)39(37,38)34(28-14-8-12-26(31)22(28)2)20-29(35)33-27-13-7-6-11-25(27)30(36)32-19-23-9-4-3-5-10-23/h3-18H,19-20H2,1-2H3,(H,32,36)(H,33,35)
InChIKeyLPQADXMNVUTARQ-UHFFFAOYSA-N
MW562.09 g/mol
LogP5.72
Rot. Bonds9

About N-benzyl-2-[[2-(3-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]benzamide

N-benzyl-2-[[2-(3-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]benzamide (PubChem CID 126031695) has the molecular formula C30H28ClN3O4S and a molecular weight of 562.09 g/mol. Its IUPAC name is N-benzyl-2-[[2-(3-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]benzamide.

Molecular Properties

Compound NameN-benzyl-2-[[2-(3-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]benzamide
PubChem CID126031695
Molecular FormulaC30H28ClN3O4S
Molecular Weight562.09 g/mol
Exact Mass561.15
IUPAC NameN-benzyl-2-[[2-(3-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]benzamide
SMILESCc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2C(=O)NCc2ccccc2)c2cccc(Cl)c2C)cc1
InChIInChI=1S/C30H28ClN3O4S/c1-21-15-17-24(18-16-21)39(37,38)34(28-14-8-12-26(31)22(28)2)20-29(35)33-27-13-7-6-11-25(27)30(36)32-19-23-9-4-3-5-10-23/h3-18H,19-20H2,1-2H3,(H,32,36)(H,33,35)
InChIKeyLPQADXMNVUTARQ-UHFFFAOYSA-N
XLogP5.72
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500562.09
LogP ≤ 55.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-2-[[2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]benzamide
CID 126029957
2-[[2-[N-(benzenesulfonyl)-2,3-dichloroanilino]acetyl]amino]-N-benzylbenzamide
CID 126033575
2-[[2-(3-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]-N-propan-2-ylbenzamide
CID 126031687
N-benzyl-2-[[2-(4-chloro-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]benzamide
CID 23823171
2-[[2-(2,3-dichloro-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]-N-(2-phenylethyl)benzamide
CID 3652560
N-benzyl-2-[[2-(2-ethoxy-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]benzamide
CID 126031358
N-benzyl-2-[[2-(5-chloro-2-methoxy-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]benzamide
CID 126034218
N-benzyl-2-[[2-(4-fluoro-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]benzamide
CID 126032362
2-(3-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-(2-propan-2-ylphenyl)acetamide
CID 1210589
2-[[2-(2,3-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]-N-propylbenzamide
CID 21371690
N-(2-chlorophenyl)-2-(2,3-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 1303550
2-[[2-[N-(benzenesulfonyl)-3,5-dimethylanilino]acetyl]amino]-N-benzylbenzamide
CID 4619682

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[[2-(3-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]benzamide?
The IUPAC name of N-benzyl-2-[[2-(3-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]benzamide (CID 126031695) is N-benzyl-2-[[2-(3-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]benzamide.
What is the SMILES notation for N-benzyl-2-[[2-(3-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]benzamide?
The canonical SMILES for N-benzyl-2-[[2-(3-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]benzamide is Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2C(=O)NCc2ccccc2)c2cccc(Cl)c2C)cc1.
What is the InChIKey of N-benzyl-2-[[2-(3-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]benzamide?
The InChIKey is LPQADXMNVUTARQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28ClN3O4S/c1-21-15-17-24(18-16-21)39(37,38)34(28-14-8-12-26(31)22(28)2)20-29(35)33-27-13-7-6-11-25(27)30(36)32-19-23-9-4-3-5-10-23/h3-18H,19-20H2,1-2H3,(H,32,36)(H,33,35).
What are the key properties of N-benzyl-2-[[2-(3-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]benzamide?
N-benzyl-2-[[2-(3-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]benzamide has a molecular weight of 562.09 g/mol, XLogP of 5.72, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[[2-(3-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]benzamide is sourced from PubChem (CID 126031695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).