(2R)-5-oxo-N-[(1R)-1-(4-propan-2-ylsulfanylphenyl)ethyl]pyrrolidine-2-carboxamide

C16H22N2O2S — CID 95335645

IUPAC(2R)-5-oxo-N-[(1R)-1-(4-propan-2-ylsulfanylphenyl)ethyl]pyrrolidine-2-carboxamide
SMILESCC(C)Sc1ccc([C@@H](C)NC(=O)[C@H]2CCC(=O)N2)cc1
InChIInChI=1S/C16H22N2O2S/c1-10(2)21-13-6-4-12(5-7-13)11(3)17-16(20)14-8-9-15(19)18-14/h4-7,10-11,14H,8-9H2,1-3H3,(H,17,20)(H,18,19)/t11-,14-/m1/s1
InChIKeyUSURHXNDSIEERL-BXUZGUMPSA-N
MW306.43 g/mol
LogP2.64
Rot. Bonds5

About (2R)-5-oxo-N-[(1R)-1-(4-propan-2-ylsulfanylphenyl)ethyl]pyrrolidine-2-carboxamide

(2R)-5-oxo-N-[(1R)-1-(4-propan-2-ylsulfanylphenyl)ethyl]pyrrolidine-2-carboxamide (PubChem CID 95335645) has the molecular formula C16H22N2O2S and a molecular weight of 306.43 g/mol. Its IUPAC name is (2R)-5-oxo-N-[(1R)-1-(4-propan-2-ylsulfanylphenyl)ethyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-5-oxo-N-[(1R)-1-(4-propan-2-ylsulfanylphenyl)ethyl]pyrrolidine-2-carboxamide
PubChem CID95335645
Molecular FormulaC16H22N2O2S
Molecular Weight306.43 g/mol
Exact Mass306.14
IUPAC Name(2R)-5-oxo-N-[(1R)-1-(4-propan-2-ylsulfanylphenyl)ethyl]pyrrolidine-2-carboxamide
SMILESCC(C)Sc1ccc([C@@H](C)NC(=O)[C@H]2CCC(=O)N2)cc1
InChIInChI=1S/C16H22N2O2S/c1-10(2)21-13-6-4-12(5-7-13)11(3)17-16(20)14-8-9-15(19)18-14/h4-7,10-11,14H,8-9H2,1-3H3,(H,17,20)(H,18,19)/t11-,14-/m1/s1
InChIKeyUSURHXNDSIEERL-BXUZGUMPSA-N
XLogP2.64
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.43
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-oxo-N-(1-pyridin-3-ylethyl)pyrrolidine-2-carboxamide
CID 110743910
(2S)-5-oxo-N-propan-2-ylpyrrolidine-2-carboxamide
CID 11105798
(2R)-N-[(1S)-1-(3,4-dichlorophenyl)ethyl]-6-oxopiperidine-2-carboxamide
CID 146129699
5-oxo-N-(1-pyridin-2-ylethyl)pyrrolidine-2-carboxamide
CID 110743906
N-[1-(4-methylsulfanylphenyl)ethyl]piperidine-2-carboxamide
CID 43705280
N-[1-(4-ethylsulfanylphenyl)ethyl]pyrrolidine-2-carboxamide
CID 119318058
1-N-[(1S)-1-(4-propan-2-ylsulfanylphenyl)ethyl]piperidine-1,4-dicarboxamide
CID 95347473
(2S)-N-[1-(1H-indol-2-yl)ethyl]-5-oxopyrrolidine-2-carboxamide
CID 67162995
(2S)-N-(1-amino-1-oxopropan-2-yl)-5-oxopyrrolidine-2-carboxamide
CID 101002831
(2S)-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]-5-oxopyrrolidine-2-carboxamide
CID 94875015
3-methyl-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]butanoate
CID 131841435
(2R)-N-[(2R)-1-aminopropan-2-yl]-5-oxopyrrolidine-2-carboxamide
CID 104872886

Frequently Asked Questions

What is the IUPAC name of (2R)-5-oxo-N-[(1R)-1-(4-propan-2-ylsulfanylphenyl)ethyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-5-oxo-N-[(1R)-1-(4-propan-2-ylsulfanylphenyl)ethyl]pyrrolidine-2-carboxamide (CID 95335645) is (2R)-5-oxo-N-[(1R)-1-(4-propan-2-ylsulfanylphenyl)ethyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-5-oxo-N-[(1R)-1-(4-propan-2-ylsulfanylphenyl)ethyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-5-oxo-N-[(1R)-1-(4-propan-2-ylsulfanylphenyl)ethyl]pyrrolidine-2-carboxamide is CC(C)Sc1ccc([C@@H](C)NC(=O)[C@H]2CCC(=O)N2)cc1.
What is the InChIKey of (2R)-5-oxo-N-[(1R)-1-(4-propan-2-ylsulfanylphenyl)ethyl]pyrrolidine-2-carboxamide?
The InChIKey is USURHXNDSIEERL-BXUZGUMPSA-N. The full InChI is InChI=1S/C16H22N2O2S/c1-10(2)21-13-6-4-12(5-7-13)11(3)17-16(20)14-8-9-15(19)18-14/h4-7,10-11,14H,8-9H2,1-3H3,(H,17,20)(H,18,19)/t11-,14-/m1/s1.
What are the key properties of (2R)-5-oxo-N-[(1R)-1-(4-propan-2-ylsulfanylphenyl)ethyl]pyrrolidine-2-carboxamide?
(2R)-5-oxo-N-[(1R)-1-(4-propan-2-ylsulfanylphenyl)ethyl]pyrrolidine-2-carboxamide has a molecular weight of 306.43 g/mol, XLogP of 2.64, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-5-oxo-N-[(1R)-1-(4-propan-2-ylsulfanylphenyl)ethyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 95335645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).