1-(3,4-dimethoxyphenyl)sulfonyl-N-methylpyrrolidine-2-carboxamide

C14H20N2O5S — CID 18846703

IUPAC1-(3,4-dimethoxyphenyl)sulfonyl-N-methylpyrrolidine-2-carboxamide
SMILESCNC(=O)C1CCCN1S(=O)(=O)c1ccc(OC)c(OC)c1
InChIInChI=1S/C14H20N2O5S/c1-15-14(17)11-5-4-8-16(11)22(18,19)10-6-7-12(20-2)13(9-10)21-3/h6-7,9,11H,4-5,8H2,1-3H3,(H,15,17)
InChIKeyCZBUCTAOXQKCQA-UHFFFAOYSA-N
MW328.39 g/mol
LogP0.60
Rot. Bonds5

About 1-(3,4-dimethoxyphenyl)sulfonyl-N-methylpyrrolidine-2-carboxamide

1-(3,4-dimethoxyphenyl)sulfonyl-N-methylpyrrolidine-2-carboxamide (PubChem CID 18846703) has the molecular formula C14H20N2O5S and a molecular weight of 328.39 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)sulfonyl-N-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)sulfonyl-N-methylpyrrolidine-2-carboxamide
PubChem CID18846703
Molecular FormulaC14H20N2O5S
Molecular Weight328.39 g/mol
Exact Mass328.11
IUPAC Name1-(3,4-dimethoxyphenyl)sulfonyl-N-methylpyrrolidine-2-carboxamide
SMILESCNC(=O)C1CCCN1S(=O)(=O)c1ccc(OC)c(OC)c1
InChIInChI=1S/C14H20N2O5S/c1-15-14(17)11-5-4-8-16(11)22(18,19)10-6-7-12(20-2)13(9-10)21-3/h6-7,9,11H,4-5,8H2,1-3H3,(H,15,17)
InChIKeyCZBUCTAOXQKCQA-UHFFFAOYSA-N
XLogP0.60
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(3,4-dimethoxyphenyl)sulfonyl-N-methylpyrrolidine-2-carboxamide 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

1-(3,4-dimethoxyphenyl)sulfonyl-N-(2-methoxyethyl)pyrrolidine-2-carboxamide
CID 108789725
N-(4-bromophenyl)-1-(3,4-dimethoxyphenyl)sulfonylpyrrolidine-2-carboxamide
CID 18846716
1-(3,4-dimethoxyphenyl)sulfonyl-N-[2-(dimethylamino)ethyl]pyrrolidine-2-carboxamide
CID 108789839
4-[[1-(3,4-dimethoxyphenyl)sulfonylpyrrolidine-2-carbonyl]amino]butanoic acid
CID 108789751
2-[[1-(3,4-dimethoxyphenyl)sulfonylpyrrolidine-2-carbonyl]amino]-3-methylpentanoic acid
CID 108789817
N-(4-anilinophenyl)-1-(3,4-dimethoxyphenyl)sulfonylpyrrolidine-2-carboxamide
CID 108789803
N-[2-(diethylamino)ethyl]-1-(3,4-dimethoxyphenyl)sulfonylpyrrolidine-2-carboxamide
CID 108789794
1-(3,4-dimethoxyphenyl)sulfonyl-N-methylpiperidine-3-carboxamide
CID 6490713
1-(3,4-dimethoxyphenyl)sulfonyl-N-(4-methoxy-3-nitrophenyl)pyrrolidine-2-carboxamide
CID 108789861
N-(2,5-difluorophenyl)-1-(3,4-dimethoxyphenyl)sulfonylpyrrolidine-2-carboxamide
CID 108802633
3-[[1-(3,4-dimethoxyphenyl)sulfonylpyrrolidine-2-carbonyl]amino]benzoic acid
CID 108789701
1-(3,4-dimethoxyphenyl)sulfonyl-N-(2-hydroxy-5-methylphenyl)pyrrolidine-2-carboxamide
CID 108802649

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)sulfonyl-N-methylpyrrolidine-2-carboxamide?
The IUPAC name of 1-(3,4-dimethoxyphenyl)sulfonyl-N-methylpyrrolidine-2-carboxamide (CID 18846703) is 1-(3,4-dimethoxyphenyl)sulfonyl-N-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)sulfonyl-N-methylpyrrolidine-2-carboxamide?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)sulfonyl-N-methylpyrrolidine-2-carboxamide is CNC(=O)C1CCCN1S(=O)(=O)c1ccc(OC)c(OC)c1.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)sulfonyl-N-methylpyrrolidine-2-carboxamide?
The InChIKey is CZBUCTAOXQKCQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O5S/c1-15-14(17)11-5-4-8-16(11)22(18,19)10-6-7-12(20-2)13(9-10)21-3/h6-7,9,11H,4-5,8H2,1-3H3,(H,15,17).
What are the key properties of 1-(3,4-dimethoxyphenyl)sulfonyl-N-methylpyrrolidine-2-carboxamide?
1-(3,4-dimethoxyphenyl)sulfonyl-N-methylpyrrolidine-2-carboxamide has a molecular weight of 328.39 g/mol, XLogP of 0.60, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxyphenyl)sulfonyl-N-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 18846703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).