3-(3,4-dimethoxyphenyl)sulfonyl-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]propanamide

C17H25NO7S — CID 110424143

IUPAC3-(3,4-dimethoxyphenyl)sulfonyl-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]propanamide
SMILESCOc1ccc(S(=O)(=O)CCC(=O)NCCC2(C)OCCO2)cc1OC
InChIInChI=1S/C17H25NO7S/c1-17(24-9-10-25-17)7-8-18-16(19)6-11-26(20,21)13-4-5-14(22-2)15(12-13)23-3/h4-5,12H,6-11H2,1-3H3,(H,18,19)
InChIKeyWVCYQNDIXIGWDO-UHFFFAOYSA-N
MW387.45 g/mol
LogP1.14
Rot. Bonds9

About 3-(3,4-dimethoxyphenyl)sulfonyl-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]propanamide

3-(3,4-dimethoxyphenyl)sulfonyl-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]propanamide (PubChem CID 110424143) has the molecular formula C17H25NO7S and a molecular weight of 387.45 g/mol. Its IUPAC name is 3-(3,4-dimethoxyphenyl)sulfonyl-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]propanamide.

Molecular Properties

Compound Name3-(3,4-dimethoxyphenyl)sulfonyl-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]propanamide
PubChem CID110424143
Molecular FormulaC17H25NO7S
Molecular Weight387.45 g/mol
Exact Mass387.14
IUPAC Name3-(3,4-dimethoxyphenyl)sulfonyl-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]propanamide
SMILESCOc1ccc(S(=O)(=O)CCC(=O)NCCC2(C)OCCO2)cc1OC
InChIInChI=1S/C17H25NO7S/c1-17(24-9-10-25-17)7-8-18-16(19)6-11-26(20,21)13-4-5-14(22-2)15(12-13)23-3/h4-5,12H,6-11H2,1-3H3,(H,18,19)
InChIKeyWVCYQNDIXIGWDO-UHFFFAOYSA-N
XLogP1.14
TPSA100.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.45
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-(3,4-dimethoxyphenyl)sulfonyl-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-aminobutyl)-3-(3,4-dimethoxyphenyl)sulfonylpropanamide;hydrochloride
CID 119497210
N-[2-(3,4-dimethoxyphenyl)sulfonylethyl]propanamide
CID 110357908
N-tert-butyl-3-(3,4-dimethoxyphenyl)sulfonylpropanamide
CID 110415267
3-(3,4-dimethoxyphenyl)sulfonyl-N-(2-oxo-2-piperidin-1-ylethyl)propanamide
CID 110633484
N-[2-(3,4-dimethoxyphenyl)sulfonylethyl]-3-(4-methylphenyl)propanamide
CID 110356474
N-[3-(aminomethyl)pentan-3-yl]-3-(3,4-dimethoxyphenyl)sulfonylpropanamide;hydrochloride
CID 119570335
3-(3-chloro-4-methoxyphenyl)sulfonyl-N-[(1-hydroxycyclopentyl)methyl]propanamide
CID 110626467
3-(3,4-dimethoxyphenyl)sulfonyl-N-(piperidin-3-ylmethyl)propanamide;hydrochloride
CID 119462202
2-(4-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)sulfonylethyl]acetamide
CID 110357937
3-(3,4-dimethoxyphenyl)sulfonyl-N-(2,4-dimethylphenyl)propanamide
CID 110417830
(2R)-2-[3-(3,4-dimethoxyphenyl)sulfonylpropanoylamino]-4-methylpentanoic acid
CID 119364738
3-(3,4-dimethoxyphenyl)sulfonyl-N-(2-ethylphenyl)propanamide
CID 110418653

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxyphenyl)sulfonyl-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]propanamide?
The IUPAC name of 3-(3,4-dimethoxyphenyl)sulfonyl-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]propanamide (CID 110424143) is 3-(3,4-dimethoxyphenyl)sulfonyl-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]propanamide.
What is the SMILES notation for 3-(3,4-dimethoxyphenyl)sulfonyl-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]propanamide?
The canonical SMILES for 3-(3,4-dimethoxyphenyl)sulfonyl-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]propanamide is COc1ccc(S(=O)(=O)CCC(=O)NCCC2(C)OCCO2)cc1OC.
What is the InChIKey of 3-(3,4-dimethoxyphenyl)sulfonyl-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]propanamide?
The InChIKey is WVCYQNDIXIGWDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO7S/c1-17(24-9-10-25-17)7-8-18-16(19)6-11-26(20,21)13-4-5-14(22-2)15(12-13)23-3/h4-5,12H,6-11H2,1-3H3,(H,18,19).
What are the key properties of 3-(3,4-dimethoxyphenyl)sulfonyl-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]propanamide?
3-(3,4-dimethoxyphenyl)sulfonyl-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]propanamide has a molecular weight of 387.45 g/mol, XLogP of 1.14, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethoxyphenyl)sulfonyl-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]propanamide is sourced from PubChem (CID 110424143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).