(2S)-N-(furan-2-ylmethyl)-1-(4-methylsulfonylphenyl)pyrrolidine-2-carboxamide

C17H20N2O4S — CID 99636781

IUPAC(2S)-N-(furan-2-ylmethyl)-1-(4-methylsulfonylphenyl)pyrrolidine-2-carboxamide
SMILESCS(=O)(=O)c1ccc(N2CCC[C@H]2C(=O)NCc2ccco2)cc1
InChIInChI=1S/C17H20N2O4S/c1-24(21,22)15-8-6-13(7-9-15)19-10-2-5-16(19)17(20)18-12-14-4-3-11-23-14/h3-4,6-9,11,16H,2,5,10,12H2,1H3,(H,18,20)/t16-/m0/s1
InChIKeyMUAQGPSQBQQAJR-INIZCTEOSA-N
MW348.42 g/mol
LogP1.97
Rot. Bonds5

About (2S)-N-(furan-2-ylmethyl)-1-(4-methylsulfonylphenyl)pyrrolidine-2-carboxamide

(2S)-N-(furan-2-ylmethyl)-1-(4-methylsulfonylphenyl)pyrrolidine-2-carboxamide (PubChem CID 99636781) has the molecular formula C17H20N2O4S and a molecular weight of 348.42 g/mol. Its IUPAC name is (2S)-N-(furan-2-ylmethyl)-1-(4-methylsulfonylphenyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(furan-2-ylmethyl)-1-(4-methylsulfonylphenyl)pyrrolidine-2-carboxamide
PubChem CID99636781
Molecular FormulaC17H20N2O4S
Molecular Weight348.42 g/mol
Exact Mass348.11
IUPAC Name(2S)-N-(furan-2-ylmethyl)-1-(4-methylsulfonylphenyl)pyrrolidine-2-carboxamide
SMILESCS(=O)(=O)c1ccc(N2CCC[C@H]2C(=O)NCc2ccco2)cc1
InChIInChI=1S/C17H20N2O4S/c1-24(21,22)15-8-6-13(7-9-15)19-10-2-5-16(19)17(20)18-12-14-4-3-11-23-14/h3-4,6-9,11,16H,2,5,10,12H2,1H3,(H,18,20)/t16-/m0/s1
InChIKeyMUAQGPSQBQQAJR-INIZCTEOSA-N
XLogP1.97
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2S)-N-(furan-2-ylmethyl)-1-(4-methylsulfonylphenyl)pyrrolidine-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

(2R)-N-(furan-2-ylmethyl)-1-[2-(trifluoromethyl)-4-pyridinyl]pyrrolidine-2-carboxamide
CID 125142082
(2R)-1-(4-chlorophenyl)sulfonyl-N-(furan-2-ylmethyl)pyrrolidine-2-carboxamide
CID 1084870
1-(3-chloro-4-cyanophenyl)-N-(furan-2-ylmethyl)pyrrolidine-2-carboxamide
CID 86805093
N-(furan-2-ylmethyl)-1-(2,3,5,6-tetrafluoro-4-pyridinyl)pyrrolidine-2-carboxamide
CID 91644166
(2R)-N-(furan-2-ylmethyl)-1-pyrazin-2-ylpyrrolidine-2-carboxamide
CID 99636768
N-(furan-2-ylmethyl)-1-pyrazin-2-ylpyrrolidine-2-carboxamide
CID 86805078
1-(3-fluoro-2-pyridinyl)-N-(furan-2-ylmethyl)pyrrolidine-2-carboxamide
CID 86805094
(2S)-N-(furan-2-ylmethyl)-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidine-2-carboxamide
CID 32877863
(2R)-N-(furan-2-ylmethyl)-1-furo[3,2-c]pyridin-4-ylpyrrolidine-2-carboxamide
CID 99636760
N-(furan-2-ylmethyl)-1-(6-methylsulfanylpyrazin-2-yl)pyrrolidine-2-carboxamide
CID 91662072
methyl 4-[2-(furan-2-ylmethylcarbamoyl)pyrrolidin-1-yl]sulfonyl-1-methylpyrrole-2-carboxylate
CID 53023574
1-(2-chlorophenyl)sulfonyl-N-(furan-2-ylmethyl)pyrrolidine-2-carboxamide
CID 55598353

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(furan-2-ylmethyl)-1-(4-methylsulfonylphenyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-(furan-2-ylmethyl)-1-(4-methylsulfonylphenyl)pyrrolidine-2-carboxamide (CID 99636781) is (2S)-N-(furan-2-ylmethyl)-1-(4-methylsulfonylphenyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-(furan-2-ylmethyl)-1-(4-methylsulfonylphenyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-(furan-2-ylmethyl)-1-(4-methylsulfonylphenyl)pyrrolidine-2-carboxamide is CS(=O)(=O)c1ccc(N2CCC[C@H]2C(=O)NCc2ccco2)cc1.
What is the InChIKey of (2S)-N-(furan-2-ylmethyl)-1-(4-methylsulfonylphenyl)pyrrolidine-2-carboxamide?
The InChIKey is MUAQGPSQBQQAJR-INIZCTEOSA-N. The full InChI is InChI=1S/C17H20N2O4S/c1-24(21,22)15-8-6-13(7-9-15)19-10-2-5-16(19)17(20)18-12-14-4-3-11-23-14/h3-4,6-9,11,16H,2,5,10,12H2,1H3,(H,18,20)/t16-/m0/s1.
What are the key properties of (2S)-N-(furan-2-ylmethyl)-1-(4-methylsulfonylphenyl)pyrrolidine-2-carboxamide?
(2S)-N-(furan-2-ylmethyl)-1-(4-methylsulfonylphenyl)pyrrolidine-2-carboxamide has a molecular weight of 348.42 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(furan-2-ylmethyl)-1-(4-methylsulfonylphenyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 99636781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).