2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-methylanilino)-N,N-diethylacetamide

C21H28N2O5S — CID 3119056

IUPAC2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-methylanilino)-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(OC)c(OC)c1
InChIInChI=1S/C21H28N2O5S/c1-6-22(7-2)21(24)15-23(17-10-8-16(3)9-11-17)29(25,26)18-12-13-19(27-4)20(14-18)28-5/h8-14H,6-7,15H2,1-5H3
InChIKeyXYNNXNVPFFLPEB-UHFFFAOYSA-N
MW420.53 g/mol
LogP3.08
Rot. Bonds9

About 2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-methylanilino)-N,N-diethylacetamide

2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-methylanilino)-N,N-diethylacetamide (PubChem CID 3119056) has the molecular formula C21H28N2O5S and a molecular weight of 420.53 g/mol. Its IUPAC name is 2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-methylanilino)-N,N-diethylacetamide.

Molecular Properties

Compound Name2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-methylanilino)-N,N-diethylacetamide
PubChem CID3119056
Molecular FormulaC21H28N2O5S
Molecular Weight420.53 g/mol
Exact Mass420.17
IUPAC Name2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-methylanilino)-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(OC)c(OC)c1
InChIInChI=1S/C21H28N2O5S/c1-6-22(7-2)21(24)15-23(17-10-8-16(3)9-11-17)29(25,26)18-12-13-19(27-4)20(14-18)28-5/h8-14H,6-7,15H2,1-5H3
InChIKeyXYNNXNVPFFLPEB-UHFFFAOYSA-N
XLogP3.08
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.53
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-(Diethylamino)benzyl)-4-methoxy-N-(p-tolyl)benzenesulfonamide
CID 71584280
N-(3,4-Dimethoxybenzenesulphonyl)-1,2,3,4-tetrahydroquinoline
CID 667562
N-(2-Amino-phenyl)-3-[4-(3,4-dimethoxy-benzenesulfonylamino)-phenyl]-acrylamide
CID 10226045
N-(2-azepan-1-yl-2-oxoethyl)-N-(4-ethoxyphenyl)-4-methylbenzenesulfonamide
CID 1001017
N-(3,4-Dimethylphenyl)-2-[N-(2-phenylethyl)3,4-dimethoxybenzenesulfonamido]acetamide
CID 1208429
1-(3,4-Dimethoxyphenyl)sulfonyl-4-(2,4-dimethylphenyl)piperazine
CID 1262214
2-[N-(4-Methoxyphenyl)3,4-dimethoxybenzenesulfonamido]-N-(1-phenylethyl)acetamide
CID 2860019
1-(3,4-Dimethoxy-benzenesulfonyl)-2,3-dihydro-1H-indole
CID 667701
N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-3,4-dimethoxybenzenesulfonamide
CID 7586249
3-(3,4-Dimethoxy-benzenesulfonyl)-1-(3,4-dimethyl-phenyl)-imidazolidine-2,4-dione
CID 10431323
3-(3,4-Dimethoxy-benzenesulfonyl)-1-phenyl-imidazolidine-2,4-dione
CID 10714544
2-(N-(2-cyano-5-(dimethylamino)phenyl)-3,4-dimethoxyphenylsulfonamido)-N,N-diethylacetamide
CID 24760748

Frequently Asked Questions

What is the IUPAC name of 2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-methylanilino)-N,N-diethylacetamide?
The IUPAC name of 2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-methylanilino)-N,N-diethylacetamide (CID 3119056) is 2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-methylanilino)-N,N-diethylacetamide.
What is the SMILES notation for 2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-methylanilino)-N,N-diethylacetamide?
The canonical SMILES for 2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-methylanilino)-N,N-diethylacetamide is CCN(CC)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(OC)c(OC)c1.
What is the InChIKey of 2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-methylanilino)-N,N-diethylacetamide?
The InChIKey is XYNNXNVPFFLPEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O5S/c1-6-22(7-2)21(24)15-23(17-10-8-16(3)9-11-17)29(25,26)18-12-13-19(27-4)20(14-18)28-5/h8-14H,6-7,15H2,1-5H3.
What are the key properties of 2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-methylanilino)-N,N-diethylacetamide?
2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-methylanilino)-N,N-diethylacetamide has a molecular weight of 420.53 g/mol, XLogP of 3.08, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-methylanilino)-N,N-diethylacetamide is sourced from PubChem (CID 3119056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).