2-(3,4-dimethoxy-N-(4-methylphenyl)sulfonylanilino)-N-[(2-methylphenyl)methyl]acetamide

C25H28N2O5S — CID 1129550

IUPAC2-(3,4-dimethoxy-N-(4-methylphenyl)sulfonylanilino)-N-[(2-methylphenyl)methyl]acetamide
SMILESCOc1ccc(N(CC(=O)NCc2ccccc2C)S(=O)(=O)c2ccc(C)cc2)cc1OC
InChIInChI=1S/C25H28N2O5S/c1-18-9-12-22(13-10-18)33(29,30)27(21-11-14-23(31-3)24(15-21)32-4)17-25(28)26-16-20-8-6-5-7-19(20)2/h5-15H,16-17H2,1-4H3,(H,26,28)
InChIKeyFBODBPHOYCPTEW-UHFFFAOYSA-N
MW468.58 g/mol
LogP3.83
Rot. Bonds9

About 2-(3,4-dimethoxy-N-(4-methylphenyl)sulfonylanilino)-N-[(2-methylphenyl)methyl]acetamide

2-(3,4-dimethoxy-N-(4-methylphenyl)sulfonylanilino)-N-[(2-methylphenyl)methyl]acetamide (PubChem CID 1129550) has the molecular formula C25H28N2O5S and a molecular weight of 468.58 g/mol. Its IUPAC name is 2-(3,4-dimethoxy-N-(4-methylphenyl)sulfonylanilino)-N-[(2-methylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(3,4-dimethoxy-N-(4-methylphenyl)sulfonylanilino)-N-[(2-methylphenyl)methyl]acetamide
PubChem CID1129550
Molecular FormulaC25H28N2O5S
Molecular Weight468.58 g/mol
Exact Mass468.17
IUPAC Name2-(3,4-dimethoxy-N-(4-methylphenyl)sulfonylanilino)-N-[(2-methylphenyl)methyl]acetamide
SMILESCOc1ccc(N(CC(=O)NCc2ccccc2C)S(=O)(=O)c2ccc(C)cc2)cc1OC
InChIInChI=1S/C25H28N2O5S/c1-18-9-12-22(13-10-18)33(29,30)27(21-11-14-23(31-3)24(15-21)32-4)17-25(28)26-16-20-8-6-5-7-19(20)2/h5-15H,16-17H2,1-4H3,(H,26,28)
InChIKeyFBODBPHOYCPTEW-UHFFFAOYSA-N
XLogP3.83
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.58
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-((3,4-dimethoxyphenyl)amino)-3-oxopropyl)-1-((4-fluorophenyl)sulfonyl)piperidine-4-carboxamide
CID 17584893
2-[N-[(3,4-dimethoxyphenyl)methyl]anilino]-N-[(5S)-6-hydroxy-5-[isobutyl(p-tolylsulfonyl)amino]hexyl]acetamide
CID 513422
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)3,4-dimethoxybenzenesulfonamido]-N-(1-phenylethyl)acetamide
CID 2860019
2-(N-(2-Ethylphenyl)-4-methylphenylsulfonamido)-N-(4-methoxybenzyl)acetamide
CID 1009982
2-[(3,4-Dimethoxy-phenyl)-(toluene-4-sulfonyl)-amino]-N-(2-ethoxy-phenyl)-acetamide
CID 1120614
N-(2,3-Dihydro-benzo[1,4]dioxin-6-yl)-N-[(1,1-dimethyl-propylcarbamoyl)-methyl]-2-(toluene-4-sulfonylamino)-acetamide
CID 645581
N-Cyclopentylcarbamoylmethyl-N-(2,3-dihydro-benzo[1,4]dioxin-6-yl)-2-(toluene-4-sulfonylamino)-acetamide
CID 656130
N-(3-methoxyphenyl)-N~2~-methyl-N~2~-[(4-methylphenyl)sulfonyl]glycinamide
CID 882050
2-[benzyl(methylsulfonyl)amino]-N-(3,4-dimethoxyphenyl)acetamide
CID 982218
N-(1,3-benzodioxol-5-yl)-2-{3,4-dimethoxy[(4-methylphenyl)sulfonyl]anilino}acetamide
CID 986751

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxy-N-(4-methylphenyl)sulfonylanilino)-N-[(2-methylphenyl)methyl]acetamide?
The IUPAC name of 2-(3,4-dimethoxy-N-(4-methylphenyl)sulfonylanilino)-N-[(2-methylphenyl)methyl]acetamide (CID 1129550) is 2-(3,4-dimethoxy-N-(4-methylphenyl)sulfonylanilino)-N-[(2-methylphenyl)methyl]acetamide.
What is the SMILES notation for 2-(3,4-dimethoxy-N-(4-methylphenyl)sulfonylanilino)-N-[(2-methylphenyl)methyl]acetamide?
The canonical SMILES for 2-(3,4-dimethoxy-N-(4-methylphenyl)sulfonylanilino)-N-[(2-methylphenyl)methyl]acetamide is COc1ccc(N(CC(=O)NCc2ccccc2C)S(=O)(=O)c2ccc(C)cc2)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxy-N-(4-methylphenyl)sulfonylanilino)-N-[(2-methylphenyl)methyl]acetamide?
The InChIKey is FBODBPHOYCPTEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O5S/c1-18-9-12-22(13-10-18)33(29,30)27(21-11-14-23(31-3)24(15-21)32-4)17-25(28)26-16-20-8-6-5-7-19(20)2/h5-15H,16-17H2,1-4H3,(H,26,28).
What are the key properties of 2-(3,4-dimethoxy-N-(4-methylphenyl)sulfonylanilino)-N-[(2-methylphenyl)methyl]acetamide?
2-(3,4-dimethoxy-N-(4-methylphenyl)sulfonylanilino)-N-[(2-methylphenyl)methyl]acetamide has a molecular weight of 468.58 g/mol, XLogP of 3.83, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxy-N-(4-methylphenyl)sulfonylanilino)-N-[(2-methylphenyl)methyl]acetamide is sourced from PubChem (CID 1129550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).