N-benzhydryl-2-(N-(4-methylphenyl)sulfonylanilino)acetamide

C28H26N2O3S — CID 44777661

IUPACN-benzhydryl-2-(N-(4-methylphenyl)sulfonylanilino)acetamide
SMILESCc1ccc(S(=O)(=O)N(CC(=O)NC(c2ccccc2)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C28H26N2O3S/c1-22-17-19-26(20-18-22)34(32,33)30(25-15-9-4-10-16-25)21-27(31)29-28(23-11-5-2-6-12-23)24-13-7-3-8-14-24/h2-20,28H,21H2,1H3,(H,29,31)
InChIKeySEXDMKHRZIDUKE-UHFFFAOYSA-N
MW470.59 g/mol
LogP5.10
Rot. Bonds8

About N-benzhydryl-2-(N-(4-methylphenyl)sulfonylanilino)acetamide

N-benzhydryl-2-(N-(4-methylphenyl)sulfonylanilino)acetamide (PubChem CID 44777661) has the molecular formula C28H26N2O3S and a molecular weight of 470.59 g/mol. Its IUPAC name is N-benzhydryl-2-(N-(4-methylphenyl)sulfonylanilino)acetamide.

Molecular Properties

Compound NameN-benzhydryl-2-(N-(4-methylphenyl)sulfonylanilino)acetamide
PubChem CID44777661
Molecular FormulaC28H26N2O3S
Molecular Weight470.59 g/mol
Exact Mass470.17
IUPAC NameN-benzhydryl-2-(N-(4-methylphenyl)sulfonylanilino)acetamide
SMILESCc1ccc(S(=O)(=O)N(CC(=O)NC(c2ccccc2)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C28H26N2O3S/c1-22-17-19-26(20-18-22)34(32,33)30(25-15-9-4-10-16-25)21-27(31)29-28(23-11-5-2-6-12-23)24-13-7-3-8-14-24/h2-20,28H,21H2,1H3,(H,29,31)
InChIKeySEXDMKHRZIDUKE-UHFFFAOYSA-N
XLogP5.10
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.59
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(R)-(4-methylphenyl)-phenylmethyl]-2-(N-(4-methylphenyl)sulfonylanilino)acetamide
CID 30305747
2-[N-(benzenesulfonyl)anilino]-N-[(S)-(4-methylphenyl)-phenylmethyl]acetamide
CID 30303573
N-[(R)-(2-methylphenyl)-phenylmethyl]-2-(N-(4-methylphenyl)sulfonylanilino)acetamide
CID 30305741
2-[N-(benzenesulfonyl)anilino]-N-[(3-methylphenyl)-phenylmethyl]acetamide
CID 43891859
2-(3,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-[(R)-(4-methylphenyl)-phenylmethyl]acetamide
CID 30306205
N-[(4-methylphenyl)-phenylmethyl]-2-(N-methylsulfonylanilino)acetamide
CID 43886460
2-(N-(4-chlorophenyl)sulfonyl-4-methylanilino)-N-[(S)-(2-methylphenyl)-phenylmethyl]acetamide
CID 94027144
2-(4-bromo-N-(4-methylphenyl)sulfonylanilino)-N-[(R)-(2-methylphenyl)-phenylmethyl]acetamide
CID 94863984
N-(3-methyl-1-phenylbutyl)-2-(N-(4-methylphenyl)sulfonylanilino)acetamide
CID 43902239
2-[N-(benzenesulfonyl)-3-methoxyanilino]-N-[(4-methylphenyl)-phenylmethyl]acetamide
CID 43885385
2-(3-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-[(3-methylphenyl)-phenylmethyl]acetamide
CID 43894244
2-[N-(benzenesulfonyl)-3-chloro-4-methylanilino]-N-[(R)-(4-methylphenyl)-phenylmethyl]acetamide
CID 30305246

Frequently Asked Questions

What is the IUPAC name of N-benzhydryl-2-(N-(4-methylphenyl)sulfonylanilino)acetamide?
The IUPAC name of N-benzhydryl-2-(N-(4-methylphenyl)sulfonylanilino)acetamide (CID 44777661) is N-benzhydryl-2-(N-(4-methylphenyl)sulfonylanilino)acetamide.
What is the SMILES notation for N-benzhydryl-2-(N-(4-methylphenyl)sulfonylanilino)acetamide?
The canonical SMILES for N-benzhydryl-2-(N-(4-methylphenyl)sulfonylanilino)acetamide is Cc1ccc(S(=O)(=O)N(CC(=O)NC(c2ccccc2)c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of N-benzhydryl-2-(N-(4-methylphenyl)sulfonylanilino)acetamide?
The InChIKey is SEXDMKHRZIDUKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N2O3S/c1-22-17-19-26(20-18-22)34(32,33)30(25-15-9-4-10-16-25)21-27(31)29-28(23-11-5-2-6-12-23)24-13-7-3-8-14-24/h2-20,28H,21H2,1H3,(H,29,31).
What are the key properties of N-benzhydryl-2-(N-(4-methylphenyl)sulfonylanilino)acetamide?
N-benzhydryl-2-(N-(4-methylphenyl)sulfonylanilino)acetamide has a molecular weight of 470.59 g/mol, XLogP of 5.10, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-2-(N-(4-methylphenyl)sulfonylanilino)acetamide is sourced from PubChem (CID 44777661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).