3-(benzenesulfonyl)-N-(3,4-dimethoxyphenyl)-N-methylpropanamide

C18H21NO5S — CID 110422910

IUPAC3-(benzenesulfonyl)-N-(3,4-dimethoxyphenyl)-N-methylpropanamide
SMILESCOc1ccc(N(C)C(=O)CCS(=O)(=O)c2ccccc2)cc1OC
InChIInChI=1S/C18H21NO5S/c1-19(14-9-10-16(23-2)17(13-14)24-3)18(20)11-12-25(21,22)15-7-5-4-6-8-15/h4-10,13H,11-12H2,1-3H3
InChIKeyHJKXXHJNXROOLS-UHFFFAOYSA-N
MW363.44 g/mol
LogP2.53
Rot. Bonds7

About 3-(benzenesulfonyl)-N-(3,4-dimethoxyphenyl)-N-methylpropanamide

3-(benzenesulfonyl)-N-(3,4-dimethoxyphenyl)-N-methylpropanamide (PubChem CID 110422910) has the molecular formula C18H21NO5S and a molecular weight of 363.44 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-N-(3,4-dimethoxyphenyl)-N-methylpropanamide.

Molecular Properties

Compound Name3-(benzenesulfonyl)-N-(3,4-dimethoxyphenyl)-N-methylpropanamide
PubChem CID110422910
Molecular FormulaC18H21NO5S
Molecular Weight363.44 g/mol
Exact Mass363.11
IUPAC Name3-(benzenesulfonyl)-N-(3,4-dimethoxyphenyl)-N-methylpropanamide
SMILESCOc1ccc(N(C)C(=O)CCS(=O)(=O)c2ccccc2)cc1OC
InChIInChI=1S/C18H21NO5S/c1-19(14-9-10-16(23-2)17(13-14)24-3)18(20)11-12-25(21,22)15-7-5-4-6-8-15/h4-10,13H,11-12H2,1-3H3
InChIKeyHJKXXHJNXROOLS-UHFFFAOYSA-N
XLogP2.53
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3,4-dimethoxyphenyl)sulfonyl-N,N-diethylpropanamide
CID 110414798
3-(3,4-dimethoxyphenyl)sulfonyl-N,N-dipropylpropanamide
CID 110416390
methyl 3-(3,4-dimethoxy-N-methylanilino)-3-oxopropanoate
CID 115174204
N-[2-(3,4-dimethoxy-N-methylanilino)-2-oxoethyl]benzamide
CID 110667730
N-(3,4-dimethoxyphenyl)-N,3,3-trimethylbutanamide
CID 110425453
3-(3-chloro-4-methoxyphenyl)sulfonyl-N-ethyl-N-phenylpropanamide
CID 110418941
2-[N-(benzenesulfonyl)-3,4-dimethoxyanilino]-N,N-dibenzylacetamide
CID 43891625
2-[3-(benzenesulfonyl)propanoyl-methylamino]propanoic acid
CID 62627813
2-[benzyl-(3,4-dimethoxyphenyl)sulfonylamino]-N-(4-methoxyphenyl)-N-methylacetamide
CID 100791352
3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-methyl-N-phenylpropanamide
CID 43000811
3-cyclopropyl-N-(3,4-dimethoxyphenyl)-N-methyl-3-phenylpropanamide
CID 110618626
3-(3-methoxyphenyl)sulfonylpropanoic acid
CID 16786519

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-N-(3,4-dimethoxyphenyl)-N-methylpropanamide?
The IUPAC name of 3-(benzenesulfonyl)-N-(3,4-dimethoxyphenyl)-N-methylpropanamide (CID 110422910) is 3-(benzenesulfonyl)-N-(3,4-dimethoxyphenyl)-N-methylpropanamide.
What is the SMILES notation for 3-(benzenesulfonyl)-N-(3,4-dimethoxyphenyl)-N-methylpropanamide?
The canonical SMILES for 3-(benzenesulfonyl)-N-(3,4-dimethoxyphenyl)-N-methylpropanamide is COc1ccc(N(C)C(=O)CCS(=O)(=O)c2ccccc2)cc1OC.
What is the InChIKey of 3-(benzenesulfonyl)-N-(3,4-dimethoxyphenyl)-N-methylpropanamide?
The InChIKey is HJKXXHJNXROOLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO5S/c1-19(14-9-10-16(23-2)17(13-14)24-3)18(20)11-12-25(21,22)15-7-5-4-6-8-15/h4-10,13H,11-12H2,1-3H3.
What are the key properties of 3-(benzenesulfonyl)-N-(3,4-dimethoxyphenyl)-N-methylpropanamide?
3-(benzenesulfonyl)-N-(3,4-dimethoxyphenyl)-N-methylpropanamide has a molecular weight of 363.44 g/mol, XLogP of 2.53, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-N-(3,4-dimethoxyphenyl)-N-methylpropanamide is sourced from PubChem (CID 110422910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).