N-(3,4-dimethylphenyl)-2-[(4-methoxyphenyl)sulfonyl-methylamino]-N-methylacetamide

C19H24N2O4S — CID 100794276

IUPACN-(3,4-dimethylphenyl)-2-[(4-methoxyphenyl)sulfonyl-methylamino]-N-methylacetamide
SMILESCOc1ccc(S(=O)(=O)N(C)CC(=O)N(C)c2ccc(C)c(C)c2)cc1
InChIInChI=1S/C19H24N2O4S/c1-14-6-7-16(12-15(14)2)21(4)19(22)13-20(3)26(23,24)18-10-8-17(25-5)9-11-18/h6-12H,13H2,1-5H3
InChIKeyMBDATPILGLNZDF-UHFFFAOYSA-N
MW376.48 g/mol
LogP2.60
Rot. Bonds6

About N-(3,4-dimethylphenyl)-2-[(4-methoxyphenyl)sulfonyl-methylamino]-N-methylacetamide

N-(3,4-dimethylphenyl)-2-[(4-methoxyphenyl)sulfonyl-methylamino]-N-methylacetamide (PubChem CID 100794276) has the molecular formula C19H24N2O4S and a molecular weight of 376.48 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-2-[(4-methoxyphenyl)sulfonyl-methylamino]-N-methylacetamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-2-[(4-methoxyphenyl)sulfonyl-methylamino]-N-methylacetamide
PubChem CID100794276
Molecular FormulaC19H24N2O4S
Molecular Weight376.48 g/mol
Exact Mass376.15
IUPAC NameN-(3,4-dimethylphenyl)-2-[(4-methoxyphenyl)sulfonyl-methylamino]-N-methylacetamide
SMILESCOc1ccc(S(=O)(=O)N(C)CC(=O)N(C)c2ccc(C)c(C)c2)cc1
InChIInChI=1S/C19H24N2O4S/c1-14-6-7-16(12-15(14)2)21(4)19(22)13-20(3)26(23,24)18-10-8-17(25-5)9-11-18/h6-12H,13H2,1-5H3
InChIKeyMBDATPILGLNZDF-UHFFFAOYSA-N
XLogP2.60
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-methoxyphenyl)-N-methyl-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 100790286
2-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]-N-(4-methoxyphenyl)-N-methylacetamide
CID 100794488
2-[(4-fluorophenyl)sulfonyl-methylamino]-N-(4-methoxyphenyl)-N-methylacetamide
CID 100794413
2-[(4-ethoxy-3-methylphenyl)sulfonyl-methylamino]-N-(4-methoxyphenyl)-N-methylacetamide
CID 100797278
N-(3,4-dimethylphenyl)-2-[dimethylsulfamoyl(methyl)amino]-N-methylacetamide
CID 100784998
N-[(1S)-1-(3,4-dimethylphenyl)ethyl]-2-[(4-methoxyphenyl)sulfonyl-methylamino]acetamide
CID 26034287
2-[ethyl-(4-methylphenyl)sulfonylamino]-N-(4-methoxyphenyl)-N-methylacetamide
CID 100795870
N,N-dibenzyl-2-[(4-methoxyphenyl)sulfonyl-methylamino]acetamide
CID 27001178
2-(3,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-[(4-methoxyphenyl)methyl]acetamide
CID 51343966
2-[(4-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-(3,4-dimethylphenyl)-N-methylacetamide
CID 100790216
2-(N-(4-acetamidophenyl)sulfonyl-4-methoxyanilino)-N-(3,4-dimethylphenyl)acetamide
CID 1204001
2-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 2230318

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-2-[(4-methoxyphenyl)sulfonyl-methylamino]-N-methylacetamide?
The IUPAC name of N-(3,4-dimethylphenyl)-2-[(4-methoxyphenyl)sulfonyl-methylamino]-N-methylacetamide (CID 100794276) is N-(3,4-dimethylphenyl)-2-[(4-methoxyphenyl)sulfonyl-methylamino]-N-methylacetamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-2-[(4-methoxyphenyl)sulfonyl-methylamino]-N-methylacetamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-2-[(4-methoxyphenyl)sulfonyl-methylamino]-N-methylacetamide is COc1ccc(S(=O)(=O)N(C)CC(=O)N(C)c2ccc(C)c(C)c2)cc1.
What is the InChIKey of N-(3,4-dimethylphenyl)-2-[(4-methoxyphenyl)sulfonyl-methylamino]-N-methylacetamide?
The InChIKey is MBDATPILGLNZDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4S/c1-14-6-7-16(12-15(14)2)21(4)19(22)13-20(3)26(23,24)18-10-8-17(25-5)9-11-18/h6-12H,13H2,1-5H3.
What are the key properties of N-(3,4-dimethylphenyl)-2-[(4-methoxyphenyl)sulfonyl-methylamino]-N-methylacetamide?
N-(3,4-dimethylphenyl)-2-[(4-methoxyphenyl)sulfonyl-methylamino]-N-methylacetamide has a molecular weight of 376.48 g/mol, XLogP of 2.60, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-2-[(4-methoxyphenyl)sulfonyl-methylamino]-N-methylacetamide is sourced from PubChem (CID 100794276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).