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

C19H24N2O6S — CID 100794488

IUPAC2-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]-N-(4-methoxyphenyl)-N-methylacetamide
SMILESCOc1ccc(N(C)C(=O)CN(C)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C19H24N2O6S/c1-20(13-19(22)21(2)14-6-8-15(25-3)9-7-14)28(23,24)16-10-11-17(26-4)18(12-16)27-5/h6-12H,13H2,1-5H3
InChIKeyQZYYTSFKBRNVSD-UHFFFAOYSA-N
MW408.48 g/mol
LogP2.00
Rot. Bonds8

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

2-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]-N-(4-methoxyphenyl)-N-methylacetamide (PubChem CID 100794488) has the molecular formula C19H24N2O6S and a molecular weight of 408.48 g/mol. Its IUPAC name is 2-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]-N-(4-methoxyphenyl)-N-methylacetamide.

Molecular Properties

Compound Name2-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]-N-(4-methoxyphenyl)-N-methylacetamide
PubChem CID100794488
Molecular FormulaC19H24N2O6S
Molecular Weight408.48 g/mol
Exact Mass408.14
IUPAC Name2-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]-N-(4-methoxyphenyl)-N-methylacetamide
SMILESCOc1ccc(N(C)C(=O)CN(C)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C19H24N2O6S/c1-20(13-19(22)21(2)14-6-8-15(25-3)9-7-14)28(23,24)16-10-11-17(26-4)18(12-16)27-5/h6-12H,13H2,1-5H3
InChIKeyQZYYTSFKBRNVSD-UHFFFAOYSA-N
XLogP2.00
TPSA85.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.48
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(4-ethoxy-3-methylphenyl)sulfonyl-methylamino]-N-(4-methoxyphenyl)-N-methylacetamide
CID 100797278
N-(4-methoxyphenyl)-N-methyl-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 100790286
N-(3,4-dimethylphenyl)-2-[(4-methoxyphenyl)sulfonyl-methylamino]-N-methylacetamide
CID 100794276
2-[(4-fluorophenyl)sulfonyl-methylamino]-N-(4-methoxyphenyl)-N-methylacetamide
CID 100794413
2-[benzyl-(3,4-dimethoxyphenyl)sulfonylamino]-N-(4-methoxyphenyl)-N-methylacetamide
CID 100791352
2-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]-N-[(1R)-1-(4-methoxyphenyl)ethyl]acetamide
CID 28546036
2-[benzyl-(3,4-dimethoxyphenyl)sulfonylamino]-N-methyl-N-phenylacetamide
CID 100791349
2-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 100610718
2-[ethyl-(4-methylphenyl)sulfonylamino]-N-(4-methoxyphenyl)-N-methylacetamide
CID 100795870
methyl 2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-ethoxyanilino)acetate
CID 1311116
2-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]-N,N-dimethylacetamide
CID 32945132
2-(4-methoxy-N-(2-methoxy-5-methylphenyl)sulfonylanilino)-N-methyl-N-phenylacetamide
CID 100796962

Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]-N-(4-methoxyphenyl)-N-methylacetamide?
The IUPAC name of 2-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]-N-(4-methoxyphenyl)-N-methylacetamide (CID 100794488) is 2-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]-N-(4-methoxyphenyl)-N-methylacetamide.
What is the SMILES notation for 2-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]-N-(4-methoxyphenyl)-N-methylacetamide?
The canonical SMILES for 2-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]-N-(4-methoxyphenyl)-N-methylacetamide is COc1ccc(N(C)C(=O)CN(C)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1.
What is the InChIKey of 2-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]-N-(4-methoxyphenyl)-N-methylacetamide?
The InChIKey is QZYYTSFKBRNVSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O6S/c1-20(13-19(22)21(2)14-6-8-15(25-3)9-7-14)28(23,24)16-10-11-17(26-4)18(12-16)27-5/h6-12H,13H2,1-5H3.
What are the key properties of 2-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]-N-(4-methoxyphenyl)-N-methylacetamide?
2-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]-N-(4-methoxyphenyl)-N-methylacetamide has a molecular weight of 408.48 g/mol, XLogP of 2.00, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]-N-(4-methoxyphenyl)-N-methylacetamide is sourced from PubChem (CID 100794488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).