2-(3-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-[(3-methylphenyl)-phenylmethyl]acetamide

C30H30N2O4S — CID 43894244

IUPAC2-(3-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-[(3-methylphenyl)-phenylmethyl]acetamide
SMILESCOc1cccc(N(CC(=O)NC(c2ccccc2)c2cccc(C)c2)S(=O)(=O)c2ccc(C)cc2)c1
InChIInChI=1S/C30H30N2O4S/c1-22-15-17-28(18-16-22)37(34,35)32(26-13-8-14-27(20-26)36-3)21-29(33)31-30(24-10-5-4-6-11-24)25-12-7-9-23(2)19-25/h4-20,30H,21H2,1-3H3,(H,31,33)
InChIKeyUARYXRPUWYJPIS-UHFFFAOYSA-N
MW514.65 g/mol
LogP5.41
Rot. Bonds9

About 2-(3-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-[(3-methylphenyl)-phenylmethyl]acetamide

2-(3-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-[(3-methylphenyl)-phenylmethyl]acetamide (PubChem CID 43894244) has the molecular formula C30H30N2O4S and a molecular weight of 514.65 g/mol. Its IUPAC name is 2-(3-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-[(3-methylphenyl)-phenylmethyl]acetamide.

Molecular Properties

Compound Name2-(3-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-[(3-methylphenyl)-phenylmethyl]acetamide
PubChem CID43894244
Molecular FormulaC30H30N2O4S
Molecular Weight514.65 g/mol
Exact Mass514.19
IUPAC Name2-(3-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-[(3-methylphenyl)-phenylmethyl]acetamide
SMILESCOc1cccc(N(CC(=O)NC(c2ccccc2)c2cccc(C)c2)S(=O)(=O)c2ccc(C)cc2)c1
InChIInChI=1S/C30H30N2O4S/c1-22-15-17-28(18-16-22)37(34,35)32(26-13-8-14-27(20-26)36-3)21-29(33)31-30(24-10-5-4-6-11-24)25-12-7-9-23(2)19-25/h4-20,30H,21H2,1-3H3,(H,31,33)
InChIKeyUARYXRPUWYJPIS-UHFFFAOYSA-N
XLogP5.41
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.65
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[N-(benzenesulfonyl)-3-methoxyanilino]-N-[(4-methylphenyl)-phenylmethyl]acetamide
CID 43885385
2-(3-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-[(R)-(2-methylphenyl)-phenylmethyl]acetamide
CID 30306626
2-[N-(benzenesulfonyl)anilino]-N-[(3-methylphenyl)-phenylmethyl]acetamide
CID 43891859
2-(3-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-[(1S)-1-phenylpropyl]acetamide
CID 30306621
2-(4-fluoro-N-(4-methoxyphenyl)sulfonylanilino)-N-[(3-methylphenyl)-phenylmethyl]acetamide
CID 43898808
2-[N-(benzenesulfonyl)-3-methoxyanilino]-N-[(1R)-1-(4-methylphenyl)ethyl]acetamide
CID 92682371
N-benzhydryl-2-(N-(4-methylphenyl)sulfonylanilino)acetamide
CID 44777661
2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)-N-[(3-methylphenyl)-phenylmethyl]acetamide
CID 43897777
N-[(R)-(4-methylphenyl)-phenylmethyl]-2-(N-(4-methylphenyl)sulfonylanilino)acetamide
CID 30305747
2-[N-(benzenesulfonyl)-3-methoxyanilino]-N-(1-phenylethyl)acetamide
CID 3139129
N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-2-(3-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 30214531
2-[N-(benzenesulfonyl)anilino]-N-[(S)-(4-methylphenyl)-phenylmethyl]acetamide
CID 30303573

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-[(3-methylphenyl)-phenylmethyl]acetamide?
The IUPAC name of 2-(3-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-[(3-methylphenyl)-phenylmethyl]acetamide (CID 43894244) is 2-(3-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-[(3-methylphenyl)-phenylmethyl]acetamide.
What is the SMILES notation for 2-(3-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-[(3-methylphenyl)-phenylmethyl]acetamide?
The canonical SMILES for 2-(3-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-[(3-methylphenyl)-phenylmethyl]acetamide is COc1cccc(N(CC(=O)NC(c2ccccc2)c2cccc(C)c2)S(=O)(=O)c2ccc(C)cc2)c1.
What is the InChIKey of 2-(3-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-[(3-methylphenyl)-phenylmethyl]acetamide?
The InChIKey is UARYXRPUWYJPIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30N2O4S/c1-22-15-17-28(18-16-22)37(34,35)32(26-13-8-14-27(20-26)36-3)21-29(33)31-30(24-10-5-4-6-11-24)25-12-7-9-23(2)19-25/h4-20,30H,21H2,1-3H3,(H,31,33).
What are the key properties of 2-(3-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-[(3-methylphenyl)-phenylmethyl]acetamide?
2-(3-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-[(3-methylphenyl)-phenylmethyl]acetamide has a molecular weight of 514.65 g/mol, XLogP of 5.41, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-[(3-methylphenyl)-phenylmethyl]acetamide is sourced from PubChem (CID 43894244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).