2-(4-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-(1-phenylethyl)acetamide

C24H26N2O4S — CID 3138984

IUPAC2-(4-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-(1-phenylethyl)acetamide
SMILESCOc1ccc(N(CC(=O)NC(C)c2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C24H26N2O4S/c1-18-9-15-23(16-10-18)31(28,29)26(21-11-13-22(30-3)14-12-21)17-24(27)25-19(2)20-7-5-4-6-8-20/h4-16,19H,17H2,1-3H3,(H,25,27)
InChIKeyCFDVQZUJBQUMSB-UHFFFAOYSA-N
MW438.55 g/mol
LogP4.08
Rot. Bonds8

About 2-(4-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-(1-phenylethyl)acetamide

2-(4-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-(1-phenylethyl)acetamide (PubChem CID 3138984) has the molecular formula C24H26N2O4S and a molecular weight of 438.55 g/mol. Its IUPAC name is 2-(4-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-(1-phenylethyl)acetamide.

Molecular Properties

Compound Name2-(4-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-(1-phenylethyl)acetamide
PubChem CID3138984
Molecular FormulaC24H26N2O4S
Molecular Weight438.55 g/mol
Exact Mass438.16
IUPAC Name2-(4-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-(1-phenylethyl)acetamide
SMILESCOc1ccc(N(CC(=O)NC(C)c2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C24H26N2O4S/c1-18-9-15-23(16-10-18)31(28,29)26(21-11-13-22(30-3)14-12-21)17-24(27)25-19(2)20-7-5-4-6-8-20/h4-16,19H,17H2,1-3H3,(H,25,27)
InChIKeyCFDVQZUJBQUMSB-UHFFFAOYSA-N
XLogP4.08
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.55
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-(1-phenylethyl)acetamide?
The IUPAC name of 2-(4-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-(1-phenylethyl)acetamide (CID 3138984) is 2-(4-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-(1-phenylethyl)acetamide.
What is the SMILES notation for 2-(4-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-(1-phenylethyl)acetamide?
The canonical SMILES for 2-(4-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-(1-phenylethyl)acetamide is COc1ccc(N(CC(=O)NC(C)c2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of 2-(4-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-(1-phenylethyl)acetamide?
The InChIKey is CFDVQZUJBQUMSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O4S/c1-18-9-15-23(16-10-18)31(28,29)26(21-11-13-22(30-3)14-12-21)17-24(27)25-19(2)20-7-5-4-6-8-20/h4-16,19H,17H2,1-3H3,(H,25,27).
What are the key properties of 2-(4-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-(1-phenylethyl)acetamide?
2-(4-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-(1-phenylethyl)acetamide has a molecular weight of 438.55 g/mol, XLogP of 4.08, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-(1-phenylethyl)acetamide is sourced from PubChem (CID 3138984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).