(2S)-1-(4-methylphenyl)sulfonyl-N-(2-pyridin-2-ylethyl)pyrrolidine-2-carboxamide

C19H23N3O3S — CID 46652639

IUPAC(2S)-1-(4-methylphenyl)sulfonyl-N-(2-pyridin-2-ylethyl)pyrrolidine-2-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)NCCc2ccccn2)cc1
InChIInChI=1S/C19H23N3O3S/c1-15-7-9-17(10-8-15)26(24,25)22-14-4-6-18(22)19(23)21-13-11-16-5-2-3-12-20-16/h2-3,5,7-10,12,18H,4,6,11,13-14H2,1H3,(H,21,23)/t18-/m0/s1
InChIKeyWXRRTPKBFAQVGX-SFHVURJKSA-N
MW373.48 g/mol
LogP1.90
Rot. Bonds6

About (2S)-1-(4-methylphenyl)sulfonyl-N-(2-pyridin-2-ylethyl)pyrrolidine-2-carboxamide

(2S)-1-(4-methylphenyl)sulfonyl-N-(2-pyridin-2-ylethyl)pyrrolidine-2-carboxamide (PubChem CID 46652639) has the molecular formula C19H23N3O3S and a molecular weight of 373.48 g/mol. Its IUPAC name is (2S)-1-(4-methylphenyl)sulfonyl-N-(2-pyridin-2-ylethyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-(4-methylphenyl)sulfonyl-N-(2-pyridin-2-ylethyl)pyrrolidine-2-carboxamide
PubChem CID46652639
Molecular FormulaC19H23N3O3S
Molecular Weight373.48 g/mol
Exact Mass373.15
IUPAC Name(2S)-1-(4-methylphenyl)sulfonyl-N-(2-pyridin-2-ylethyl)pyrrolidine-2-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)NCCc2ccccn2)cc1
InChIInChI=1S/C19H23N3O3S/c1-15-7-9-17(10-8-15)26(24,25)22-14-4-6-18(22)19(23)21-13-11-16-5-2-3-12-20-16/h2-3,5,7-10,12,18H,4,6,11,13-14H2,1H3,(H,21,23)/t18-/m0/s1
InChIKeyWXRRTPKBFAQVGX-SFHVURJKSA-N
XLogP1.90
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-(4-methylphenyl)sulfonyl-N-[2-(pyridin-2-ylamino)ethyl]pyrrolidine-2-carboxamide
CID 60589639
(2R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-(2-pyridin-2-ylethyl)pyrrolidine-2-carboxamide
CID 30261453
(2S)-1-methylsulfonyl-N-(3-pyridin-2-ylpropyl)pyrrolidine-2-carboxamide
CID 118792152
(2S)-1-(4-methylphenyl)sulfonyl-N-[2-(4-sulfamoylphenyl)ethyl]pyrrolidine-2-carboxamide
CID 24537150
(2S)-1-(benzenesulfonyl)-N-[2-(4-methylphenyl)sulfanylethyl]pyrrolidine-2-carboxamide
CID 2226544
(2S)-N-[2-[cyclopropyl(methyl)amino]ethyl]-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 60592755
1-[4-[(4-methylphenyl)carbamoylamino]phenyl]sulfonyl-N-pyridin-2-ylpyrrolidine-2-carboxamide
CID 159988634
(2S)-N-[2-[ethyl(methyl)amino]ethyl]-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 60592948
(2S)-1-(4-methylphenyl)sulfonyl-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide
CID 40696797
2-[(2R)-1-(4-methylphenyl)sulfonylpiperidin-2-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 26562145
1-(4-bromophenyl)sulfonyl-N-(2-phenylethyl)pyrrolidine-2-carboxamide
CID 24654361
N-[2-(1-adamantyl)ethyl]-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 2942238

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(4-methylphenyl)sulfonyl-N-(2-pyridin-2-ylethyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-(4-methylphenyl)sulfonyl-N-(2-pyridin-2-ylethyl)pyrrolidine-2-carboxamide (CID 46652639) is (2S)-1-(4-methylphenyl)sulfonyl-N-(2-pyridin-2-ylethyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-(4-methylphenyl)sulfonyl-N-(2-pyridin-2-ylethyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-(4-methylphenyl)sulfonyl-N-(2-pyridin-2-ylethyl)pyrrolidine-2-carboxamide is Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)NCCc2ccccn2)cc1.
What is the InChIKey of (2S)-1-(4-methylphenyl)sulfonyl-N-(2-pyridin-2-ylethyl)pyrrolidine-2-carboxamide?
The InChIKey is WXRRTPKBFAQVGX-SFHVURJKSA-N. The full InChI is InChI=1S/C19H23N3O3S/c1-15-7-9-17(10-8-15)26(24,25)22-14-4-6-18(22)19(23)21-13-11-16-5-2-3-12-20-16/h2-3,5,7-10,12,18H,4,6,11,13-14H2,1H3,(H,21,23)/t18-/m0/s1.
What are the key properties of (2S)-1-(4-methylphenyl)sulfonyl-N-(2-pyridin-2-ylethyl)pyrrolidine-2-carboxamide?
(2S)-1-(4-methylphenyl)sulfonyl-N-(2-pyridin-2-ylethyl)pyrrolidine-2-carboxamide has a molecular weight of 373.48 g/mol, XLogP of 1.90, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(4-methylphenyl)sulfonyl-N-(2-pyridin-2-ylethyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 46652639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).