N-benzhydryl-2-(N-(4-methoxy-3-methylphenyl)sulfonylanilino)acetamide

C29H28N2O4S — CID 30276576

IUPACN-benzhydryl-2-(N-(4-methoxy-3-methylphenyl)sulfonylanilino)acetamide
SMILESCOc1ccc(S(=O)(=O)N(CC(=O)NC(c2ccccc2)c2ccccc2)c2ccccc2)cc1C
InChIInChI=1S/C29H28N2O4S/c1-22-20-26(18-19-27(22)35-2)36(33,34)31(25-16-10-5-11-17-25)21-28(32)30-29(23-12-6-3-7-13-23)24-14-8-4-9-15-24/h3-20,29H,21H2,1-2H3,(H,30,32)
InChIKeyQBOVLQLSHHZVLW-UHFFFAOYSA-N
MW500.62 g/mol
LogP5.10
Rot. Bonds9

About N-benzhydryl-2-(N-(4-methoxy-3-methylphenyl)sulfonylanilino)acetamide

N-benzhydryl-2-(N-(4-methoxy-3-methylphenyl)sulfonylanilino)acetamide (PubChem CID 30276576) has the molecular formula C29H28N2O4S and a molecular weight of 500.62 g/mol. Its IUPAC name is N-benzhydryl-2-(N-(4-methoxy-3-methylphenyl)sulfonylanilino)acetamide.

Molecular Properties

Compound NameN-benzhydryl-2-(N-(4-methoxy-3-methylphenyl)sulfonylanilino)acetamide
PubChem CID30276576
Molecular FormulaC29H28N2O4S
Molecular Weight500.62 g/mol
Exact Mass500.18
IUPAC NameN-benzhydryl-2-(N-(4-methoxy-3-methylphenyl)sulfonylanilino)acetamide
SMILESCOc1ccc(S(=O)(=O)N(CC(=O)NC(c2ccccc2)c2ccccc2)c2ccccc2)cc1C
InChIInChI=1S/C29H28N2O4S/c1-22-20-26(18-19-27(22)35-2)36(33,34)31(25-16-10-5-11-17-25)21-28(32)30-29(23-12-6-3-7-13-23)24-14-8-4-9-15-24/h3-20,29H,21H2,1-2H3,(H,30,32)
InChIKeyQBOVLQLSHHZVLW-UHFFFAOYSA-N
XLogP5.10
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.62
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(N-(4-methoxy-3-methylphenyl)sulfonylanilino)-N-(1-phenylpropyl)acetamide
CID 43900475
N-[1-(4-tert-butylphenyl)ethyl]-2-(N-(4-methoxy-3-methylphenyl)sulfonylanilino)acetamide
CID 43900174
N-benzhydryl-2-(N-(4-methylphenyl)sulfonylanilino)acetamide
CID 44777661
2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-fluoroanilino)-N-[(2-methylphenyl)-phenylmethyl]acetamide
CID 43904268
2-(4-chloro-N-(3,4-dimethoxyphenyl)sulfonylanilino)-N-[(3-methylphenyl)-phenylmethyl]acetamide
CID 43898881
N-[(R)-(4-methylphenyl)-phenylmethyl]-2-(N-(4-methylphenyl)sulfonylanilino)acetamide
CID 30305747
2-[N-(benzenesulfonyl)anilino]-N-[1-(4-methoxy-3-methylphenyl)propyl]acetamide
CID 133185850
N-butyl-2-(N-(4-methoxy-3-methylphenyl)sulfonylanilino)acetamide
CID 30269196
N-[3-(dimethylamino)propyl]-2-(N-(4-methoxy-3-methylphenyl)sulfonylanilino)acetamide
CID 30271841
N-(3-chloro-4-fluorophenyl)-2-(N-(4-methoxy-3-methylphenyl)sulfonylanilino)acetamide
CID 30267261
N-[1-(4-methoxy-3-methylphenyl)propyl]-2-(N-(4-methoxyphenyl)sulfonylanilino)acetamide
CID 133251991
2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-methylanilino)-N-(1-phenylethyl)acetamide
CID 3136595

Frequently Asked Questions

What is the IUPAC name of N-benzhydryl-2-(N-(4-methoxy-3-methylphenyl)sulfonylanilino)acetamide?
The IUPAC name of N-benzhydryl-2-(N-(4-methoxy-3-methylphenyl)sulfonylanilino)acetamide (CID 30276576) is N-benzhydryl-2-(N-(4-methoxy-3-methylphenyl)sulfonylanilino)acetamide.
What is the SMILES notation for N-benzhydryl-2-(N-(4-methoxy-3-methylphenyl)sulfonylanilino)acetamide?
The canonical SMILES for N-benzhydryl-2-(N-(4-methoxy-3-methylphenyl)sulfonylanilino)acetamide is COc1ccc(S(=O)(=O)N(CC(=O)NC(c2ccccc2)c2ccccc2)c2ccccc2)cc1C.
What is the InChIKey of N-benzhydryl-2-(N-(4-methoxy-3-methylphenyl)sulfonylanilino)acetamide?
The InChIKey is QBOVLQLSHHZVLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28N2O4S/c1-22-20-26(18-19-27(22)35-2)36(33,34)31(25-16-10-5-11-17-25)21-28(32)30-29(23-12-6-3-7-13-23)24-14-8-4-9-15-24/h3-20,29H,21H2,1-2H3,(H,30,32).
What are the key properties of N-benzhydryl-2-(N-(4-methoxy-3-methylphenyl)sulfonylanilino)acetamide?
N-benzhydryl-2-(N-(4-methoxy-3-methylphenyl)sulfonylanilino)acetamide has a molecular weight of 500.62 g/mol, XLogP of 5.10, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-2-(N-(4-methoxy-3-methylphenyl)sulfonylanilino)acetamide is sourced from PubChem (CID 30276576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).