2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-methylanilino)-N-(4-methylphenyl)acetamide

C24H26N2O5S — CID 3136596

IUPAC2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-methylanilino)-N-(4-methylphenyl)acetamide
SMILESCOc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(C)cc2)c2ccc(C)cc2)cc1OC
InChIInChI=1S/C24H26N2O5S/c1-17-5-9-19(10-6-17)25-24(27)16-26(20-11-7-18(2)8-12-20)32(28,29)21-13-14-22(30-3)23(15-21)31-4/h5-15H,16H2,1-4H3,(H,25,27)
InChIKeyWCVHAHHTZSLSGR-UHFFFAOYSA-N
MW454.55 g/mol
LogP4.15
Rot. Bonds8

About 2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-methylanilino)-N-(4-methylphenyl)acetamide

2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-methylanilino)-N-(4-methylphenyl)acetamide (PubChem CID 3136596) has the molecular formula C24H26N2O5S and a molecular weight of 454.55 g/mol. Its IUPAC name is 2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-methylanilino)-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-methylanilino)-N-(4-methylphenyl)acetamide
PubChem CID3136596
Molecular FormulaC24H26N2O5S
Molecular Weight454.55 g/mol
Exact Mass454.16
IUPAC Name2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-methylanilino)-N-(4-methylphenyl)acetamide
SMILESCOc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(C)cc2)c2ccc(C)cc2)cc1OC
InChIInChI=1S/C24H26N2O5S/c1-17-5-9-19(10-6-17)25-24(27)16-26(20-11-7-18(2)8-12-20)32(28,29)21-13-14-22(30-3)23(15-21)31-4/h5-15H,16H2,1-4H3,(H,25,27)
InChIKeyWCVHAHHTZSLSGR-UHFFFAOYSA-N
XLogP4.15
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.55
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-methylanilino)-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-methylanilino)-N-(4-methylphenyl)acetamide (CID 3136596) is 2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-methylanilino)-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-methylanilino)-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-methylanilino)-N-(4-methylphenyl)acetamide is COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(C)cc2)c2ccc(C)cc2)cc1OC.
What is the InChIKey of 2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-methylanilino)-N-(4-methylphenyl)acetamide?
The InChIKey is WCVHAHHTZSLSGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O5S/c1-17-5-9-19(10-6-17)25-24(27)16-26(20-11-7-18(2)8-12-20)32(28,29)21-13-14-22(30-3)23(15-21)31-4/h5-15H,16H2,1-4H3,(H,25,27).
What are the key properties of 2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-methylanilino)-N-(4-methylphenyl)acetamide?
2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-methylanilino)-N-(4-methylphenyl)acetamide has a molecular weight of 454.55 g/mol, XLogP of 4.15, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-methylanilino)-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 3136596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).