2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-methoxyanilino)-N-(2,5-dimethylphenyl)acetamide

C25H28N2O6S — CID 1109434

IUPAC2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-methoxyanilino)-N-(2,5-dimethylphenyl)acetamide
SMILESCOc1ccc(N(CC(=O)Nc2cc(C)ccc2C)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C25H28N2O6S/c1-17-6-7-18(2)22(14-17)26-25(28)16-27(19-8-10-20(31-3)11-9-19)34(29,30)21-12-13-23(32-4)24(15-21)33-5/h6-15H,16H2,1-5H3,(H,26,28)
InChIKeySKBYAYZENHPZOT-UHFFFAOYSA-N
MW484.57 g/mol
LogP4.16
Rot. Bonds9

About 2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-methoxyanilino)-N-(2,5-dimethylphenyl)acetamide

2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-methoxyanilino)-N-(2,5-dimethylphenyl)acetamide (PubChem CID 1109434) has the molecular formula C25H28N2O6S and a molecular weight of 484.57 g/mol. Its IUPAC name is 2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-methoxyanilino)-N-(2,5-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-methoxyanilino)-N-(2,5-dimethylphenyl)acetamide
PubChem CID1109434
Molecular FormulaC25H28N2O6S
Molecular Weight484.57 g/mol
Exact Mass484.17
IUPAC Name2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-methoxyanilino)-N-(2,5-dimethylphenyl)acetamide
SMILESCOc1ccc(N(CC(=O)Nc2cc(C)ccc2C)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C25H28N2O6S/c1-17-6-7-18(2)22(14-17)26-25(28)16-27(19-8-10-20(31-3)11-9-19)34(29,30)21-12-13-23(32-4)24(15-21)33-5/h6-15H,16H2,1-5H3,(H,26,28)
InChIKeySKBYAYZENHPZOT-UHFFFAOYSA-N
XLogP4.16
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.57
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(N-Benzyl4-methoxybenzenesulfonamido)-N-(2-methoxy-5-methylphenyl)acetamide
CID 1119952
N-(3,4-Dimethylphenyl)-2-[N-(2-phenylethyl)3,4-dimethoxybenzenesulfonamido]acetamide
CID 1208429
N-(3-methoxyphenyl)-2-[(4-methoxyphenyl)sulfonyl-(2-phenylethyl)amino]acetamide
CID 1359892
2-[N-(4-Methoxyphenyl)benzenesulfonamido]-N-(2-{[(4-methylphenyl)methyl]sulfanyl}ethyl)acetamide
CID 2250010
2-[N-(4-Methoxyphenyl)3,4-dimethoxybenzenesulfonamido]-N-(1-phenylethyl)acetamide
CID 2860019
N-(2,5-Dimethylphenyl)-2-[N-(2-phenylethyl)4-methoxybenzenesulfonamido]acetamide
CID 2878889
2-(N-(2-Ethylphenyl)-4-methylphenylsulfonamido)-N-(4-methoxybenzyl)acetamide
CID 1009982
2-[Benzenesulfonyl-(4-methoxy-phenyl)-amino]-N-(3-chloro-2-methyl-phenyl)-acetamide
CID 1134581
Cambridge id 5575070
CID 1134627
N-(2-Amino-phenyl)-3-[4-(3,4-dimethoxy-benzenesulfonylamino)-phenyl]-acrylamide
CID 10226045
2-(Methyl-{3-[methyl-(4-sulfamoyl-benzyl)-amino]-propyl}-amino)-N-(4-phenoxy-phenyl)-acetamide
CID 44567644
N-(2,5-Dimethyl-phenyl)-2-(4-methoxy-benzenesulfonylamino)-N-{[(tetrahydro-furan-2-ylmethyl)-carbamoyl]-methyl}-acetamide
CID 644685

Frequently Asked Questions

What is the IUPAC name of 2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-methoxyanilino)-N-(2,5-dimethylphenyl)acetamide?
The IUPAC name of 2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-methoxyanilino)-N-(2,5-dimethylphenyl)acetamide (CID 1109434) is 2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-methoxyanilino)-N-(2,5-dimethylphenyl)acetamide.
What is the SMILES notation for 2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-methoxyanilino)-N-(2,5-dimethylphenyl)acetamide?
The canonical SMILES for 2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-methoxyanilino)-N-(2,5-dimethylphenyl)acetamide is COc1ccc(N(CC(=O)Nc2cc(C)ccc2C)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1.
What is the InChIKey of 2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-methoxyanilino)-N-(2,5-dimethylphenyl)acetamide?
The InChIKey is SKBYAYZENHPZOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O6S/c1-17-6-7-18(2)22(14-17)26-25(28)16-27(19-8-10-20(31-3)11-9-19)34(29,30)21-12-13-23(32-4)24(15-21)33-5/h6-15H,16H2,1-5H3,(H,26,28).
What are the key properties of 2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-methoxyanilino)-N-(2,5-dimethylphenyl)acetamide?
2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-methoxyanilino)-N-(2,5-dimethylphenyl)acetamide has a molecular weight of 484.57 g/mol, XLogP of 4.16, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-methoxyanilino)-N-(2,5-dimethylphenyl)acetamide is sourced from PubChem (CID 1109434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).