2-[2-cyano-N-(3,4-dimethoxyphenyl)sulfonyl-3-(dimethylamino)anilino]-N,N-diethylacetamide

C23H30N4O5S — CID 44580863

IUPAC2-[2-cyano-N-(3,4-dimethoxyphenyl)sulfonyl-3-(dimethylamino)anilino]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CN(c1cccc(N(C)C)c1C#N)S(=O)(=O)c1ccc(OC)c(OC)c1
InChIInChI=1S/C23H30N4O5S/c1-7-26(8-2)23(28)16-27(20-11-9-10-19(25(3)4)18(20)15-24)33(29,30)17-12-13-21(31-5)22(14-17)32-6/h9-14H,7-8,16H2,1-6H3
InChIKeyRCRJCGGDCWSHES-UHFFFAOYSA-N
MW474.58 g/mol
LogP2.71
Rot. Bonds10

About 2-[2-cyano-N-(3,4-dimethoxyphenyl)sulfonyl-3-(dimethylamino)anilino]-N,N-diethylacetamide

2-[2-cyano-N-(3,4-dimethoxyphenyl)sulfonyl-3-(dimethylamino)anilino]-N,N-diethylacetamide (PubChem CID 44580863) has the molecular formula C23H30N4O5S and a molecular weight of 474.58 g/mol. Its IUPAC name is 2-[2-cyano-N-(3,4-dimethoxyphenyl)sulfonyl-3-(dimethylamino)anilino]-N,N-diethylacetamide.

Molecular Properties

Compound Name2-[2-cyano-N-(3,4-dimethoxyphenyl)sulfonyl-3-(dimethylamino)anilino]-N,N-diethylacetamide
PubChem CID44580863
Molecular FormulaC23H30N4O5S
Molecular Weight474.58 g/mol
Exact Mass474.19
IUPAC Name2-[2-cyano-N-(3,4-dimethoxyphenyl)sulfonyl-3-(dimethylamino)anilino]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CN(c1cccc(N(C)C)c1C#N)S(=O)(=O)c1ccc(OC)c(OC)c1
InChIInChI=1S/C23H30N4O5S/c1-7-26(8-2)23(28)16-27(20-11-9-10-19(25(3)4)18(20)15-24)33(29,30)17-12-13-21(31-5)22(14-17)32-6/h9-14H,7-8,16H2,1-6H3
InChIKeyRCRJCGGDCWSHES-UHFFFAOYSA-N
XLogP2.71
TPSA103.18 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.58
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[N-(4-Methoxyphenyl)3,4-dimethoxybenzenesulfonamido]-N-(1-phenylethyl)acetamide
CID 2860019
N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-3,4-dimethoxybenzenesulfonamide
CID 7586249
2-(N-(2-cyano-5-(dimethylamino)phenyl)-3,4-dimethoxyphenylsulfonamido)-N,N-diethylacetamide
CID 24760748
N-[2-(azepan-1-yl)-2-oxoethyl]-3,4-dimethoxy-N-(4-methoxyphenyl)benzenesulfonamide
CID 985158
2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-methoxyanilino)-N-(2,5-dimethylphenyl)acetamide
CID 1109434
N~2~-[(3,4-dimethoxyphenyl)sulfonyl]-N~2~-methyl-N~1~-(4-methylphenyl)glycinamide
CID 1316104
N~2~-[(3,4-dimethoxyphenyl)sulfonyl]-N~1~-(3-methylbutyl)-N~2~-phenylglycinamide
CID 2205305
N-{2-[4-(4-Fluoro-phenyl)-piperazin-1-yl]-2-oxo-ethyl}-3,4-dimethoxy-N-methyl-benzenesulfonamide
CID 2946488
N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-N-(4-fluorophenyl)-3,4-dimethoxybenzenesulfonamide
CID 2954480
2-(3,4-dimethoxy-N-p-tolylphenylsulfonamido)-N,N-diethylacetamide
CID 3119056
N,N-diethyl-2-(4-methoxy-N-p-tolylphenylsulfonamido)acetamide
CID 15993497
2-[4-(3,4-Dimethoxyphenyl)sulfonylpiperazin-1-yl]-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone
CID 16328500

Frequently Asked Questions

What is the IUPAC name of 2-[2-cyano-N-(3,4-dimethoxyphenyl)sulfonyl-3-(dimethylamino)anilino]-N,N-diethylacetamide?
The IUPAC name of 2-[2-cyano-N-(3,4-dimethoxyphenyl)sulfonyl-3-(dimethylamino)anilino]-N,N-diethylacetamide (CID 44580863) is 2-[2-cyano-N-(3,4-dimethoxyphenyl)sulfonyl-3-(dimethylamino)anilino]-N,N-diethylacetamide.
What is the SMILES notation for 2-[2-cyano-N-(3,4-dimethoxyphenyl)sulfonyl-3-(dimethylamino)anilino]-N,N-diethylacetamide?
The canonical SMILES for 2-[2-cyano-N-(3,4-dimethoxyphenyl)sulfonyl-3-(dimethylamino)anilino]-N,N-diethylacetamide is CCN(CC)C(=O)CN(c1cccc(N(C)C)c1C#N)S(=O)(=O)c1ccc(OC)c(OC)c1.
What is the InChIKey of 2-[2-cyano-N-(3,4-dimethoxyphenyl)sulfonyl-3-(dimethylamino)anilino]-N,N-diethylacetamide?
The InChIKey is RCRJCGGDCWSHES-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O5S/c1-7-26(8-2)23(28)16-27(20-11-9-10-19(25(3)4)18(20)15-24)33(29,30)17-12-13-21(31-5)22(14-17)32-6/h9-14H,7-8,16H2,1-6H3.
What are the key properties of 2-[2-cyano-N-(3,4-dimethoxyphenyl)sulfonyl-3-(dimethylamino)anilino]-N,N-diethylacetamide?
2-[2-cyano-N-(3,4-dimethoxyphenyl)sulfonyl-3-(dimethylamino)anilino]-N,N-diethylacetamide has a molecular weight of 474.58 g/mol, XLogP of 2.71, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-cyano-N-(3,4-dimethoxyphenyl)sulfonyl-3-(dimethylamino)anilino]-N,N-diethylacetamide is sourced from PubChem (CID 44580863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).