3-(4-methylphenyl)sulfonyl-N-(2-pyrrolidin-1-ylphenyl)propanamide

C20H24N2O3S — CID 25161687

IUPAC3-(4-methylphenyl)sulfonyl-N-(2-pyrrolidin-1-ylphenyl)propanamide
SMILESCc1ccc(S(=O)(=O)CCC(=O)Nc2ccccc2N2CCCC2)cc1
InChIInChI=1S/C20H24N2O3S/c1-16-8-10-17(11-9-16)26(24,25)15-12-20(23)21-18-6-2-3-7-19(18)22-13-4-5-14-22/h2-3,6-11H,4-5,12-15H2,1H3,(H,21,23)
InChIKeyVLDBPWRPVZTEAK-UHFFFAOYSA-N
MW372.49 g/mol
LogP3.40
Rot. Bonds6

About 3-(4-methylphenyl)sulfonyl-N-(2-pyrrolidin-1-ylphenyl)propanamide

3-(4-methylphenyl)sulfonyl-N-(2-pyrrolidin-1-ylphenyl)propanamide (PubChem CID 25161687) has the molecular formula C20H24N2O3S and a molecular weight of 372.49 g/mol. Its IUPAC name is 3-(4-methylphenyl)sulfonyl-N-(2-pyrrolidin-1-ylphenyl)propanamide.

Molecular Properties

Compound Name3-(4-methylphenyl)sulfonyl-N-(2-pyrrolidin-1-ylphenyl)propanamide
PubChem CID25161687
Molecular FormulaC20H24N2O3S
Molecular Weight372.49 g/mol
Exact Mass372.15
IUPAC Name3-(4-methylphenyl)sulfonyl-N-(2-pyrrolidin-1-ylphenyl)propanamide
SMILESCc1ccc(S(=O)(=O)CCC(=O)Nc2ccccc2N2CCCC2)cc1
InChIInChI=1S/C20H24N2O3S/c1-16-8-10-17(11-9-16)26(24,25)15-12-20(23)21-18-6-2-3-7-19(18)22-13-4-5-14-22/h2-3,6-11H,4-5,12-15H2,1H3,(H,21,23)
InChIKeyVLDBPWRPVZTEAK-UHFFFAOYSA-N
XLogP3.40
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-methylphenyl)sulfonyl-N-(2-morpholin-4-ylphenyl)propanamide
CID 9431656
3-(4-chlorophenyl)sulfonyl-N-[2-(4-ethylpiperazin-1-yl)phenyl]propanamide
CID 55361022
N-(2-bromophenyl)-3-(4-methylphenyl)sulfonylpropanamide
CID 4547649
3-amino-N-[2-(azepan-1-yl)phenyl]propanamide;dihydrochloride
CID 119842100
N-[2-(difluoromethylsulfonyl)phenyl]-3-(4-methylphenyl)sulfonylpropanamide
CID 55340437
N-(2-piperidin-1-ylphenyl)propanamide
CID 960826
N-(2-piperidin-1-ylphenyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 32621375
N-[(2S)-butan-2-yl]-2-[3-(4-methylphenyl)sulfonylpropanoylamino]benzamide
CID 39996049
5-amino-N-(2-piperidin-1-ylphenyl)hexanamide
CID 82850412
5-hydroxy-N-(2-piperidin-1-ylphenyl)pentanamide
CID 79199095
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-3-(4-methylphenyl)sulfonylpropanamide
CID 26413933
3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-(2-piperidin-1-ylphenyl)propanamide
CID 134013000

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)sulfonyl-N-(2-pyrrolidin-1-ylphenyl)propanamide?
The IUPAC name of 3-(4-methylphenyl)sulfonyl-N-(2-pyrrolidin-1-ylphenyl)propanamide (CID 25161687) is 3-(4-methylphenyl)sulfonyl-N-(2-pyrrolidin-1-ylphenyl)propanamide.
What is the SMILES notation for 3-(4-methylphenyl)sulfonyl-N-(2-pyrrolidin-1-ylphenyl)propanamide?
The canonical SMILES for 3-(4-methylphenyl)sulfonyl-N-(2-pyrrolidin-1-ylphenyl)propanamide is Cc1ccc(S(=O)(=O)CCC(=O)Nc2ccccc2N2CCCC2)cc1.
What is the InChIKey of 3-(4-methylphenyl)sulfonyl-N-(2-pyrrolidin-1-ylphenyl)propanamide?
The InChIKey is VLDBPWRPVZTEAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3S/c1-16-8-10-17(11-9-16)26(24,25)15-12-20(23)21-18-6-2-3-7-19(18)22-13-4-5-14-22/h2-3,6-11H,4-5,12-15H2,1H3,(H,21,23).
What are the key properties of 3-(4-methylphenyl)sulfonyl-N-(2-pyrrolidin-1-ylphenyl)propanamide?
3-(4-methylphenyl)sulfonyl-N-(2-pyrrolidin-1-ylphenyl)propanamide has a molecular weight of 372.49 g/mol, XLogP of 3.40, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)sulfonyl-N-(2-pyrrolidin-1-ylphenyl)propanamide is sourced from PubChem (CID 25161687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).