(2S)-N-[3-[(R)-methylsulfinyl]phenyl]-2-(2-oxopyrrolidin-1-yl)butanamide

C15H20N2O3S — CID 95943755

IUPAC(2S)-N-[3-[(R)-methylsulfinyl]phenyl]-2-(2-oxopyrrolidin-1-yl)butanamide
SMILESCC[C@@H](C(=O)Nc1cccc([S@@](C)=O)c1)N1CCCC1=O
InChIInChI=1S/C15H20N2O3S/c1-3-13(17-9-5-8-14(17)18)15(19)16-11-6-4-7-12(10-11)21(2)20/h4,6-7,10,13H,3,5,8-9H2,1-2H3,(H,16,19)/t13-,21+/m0/s1
InChIKeyIXIOPBVLKHMEGJ-YEJXKQKISA-N
MW308.40 g/mol
LogP1.76
Rot. Bonds5

About (2S)-N-[3-[(R)-methylsulfinyl]phenyl]-2-(2-oxopyrrolidin-1-yl)butanamide

(2S)-N-[3-[(R)-methylsulfinyl]phenyl]-2-(2-oxopyrrolidin-1-yl)butanamide (PubChem CID 95943755) has the molecular formula C15H20N2O3S and a molecular weight of 308.40 g/mol. Its IUPAC name is (2S)-N-[3-[(R)-methylsulfinyl]phenyl]-2-(2-oxopyrrolidin-1-yl)butanamide.

Molecular Properties

Compound Name(2S)-N-[3-[(R)-methylsulfinyl]phenyl]-2-(2-oxopyrrolidin-1-yl)butanamide
PubChem CID95943755
Molecular FormulaC15H20N2O3S
Molecular Weight308.40 g/mol
Exact Mass308.12
IUPAC Name(2S)-N-[3-[(R)-methylsulfinyl]phenyl]-2-(2-oxopyrrolidin-1-yl)butanamide
SMILESCC[C@@H](C(=O)Nc1cccc([S@@](C)=O)c1)N1CCCC1=O
InChIInChI=1S/C15H20N2O3S/c1-3-13(17-9-5-8-14(17)18)15(19)16-11-6-4-7-12(10-11)21(2)20/h4,6-7,10,13H,3,5,8-9H2,1-2H3,(H,16,19)/t13-,21+/m0/s1
InChIKeyIXIOPBVLKHMEGJ-YEJXKQKISA-N
XLogP1.76
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methyl-1,3-benzoxazol-6-yl)-2-(2-oxopyrrolidin-1-yl)butanamide
CID 71991480
(2S)-N-(3-chloro-4-nitrophenyl)-2-(2-oxopyrrolidin-1-yl)butanamide
CID 97338133
(2R)-N-hydroxy-2-(2-oxopyrrolidin-1-yl)butanamide
CID 135817952
N-(3-bromo-2-pyridinyl)-2-(2-oxopyrrolidin-1-yl)butanamide
CID 71980567
N-[1-(2-fluorophenyl)pyrazol-4-yl]-2-(2-oxopyrrolidin-1-yl)butanamide
CID 71921698
(2S)-N-[3,5-dichloro-4-(2,2,2-trifluoroethoxy)phenyl]-2-(2-oxopyrrolidin-1-yl)butanamide
CID 97249288
2-amino-N-(3-methylsulfinylphenyl)propanamide;hydrochloride
CID 119300630
N-(2-chloro-4-methoxyphenyl)-2-(2-oxopyrrolidin-1-yl)butanamide
CID 71867206
(2S)-2-amino-3,3-dimethyl-N-(3-methylsulfinylphenyl)butanamide;hydrochloride
CID 119743912
(2R)-N-(2-fluoro-4-propan-2-yloxyphenyl)-2-(2-oxopyrrolidin-1-yl)butanamide
CID 95906047
(2S)-N-[1-[(2,6-difluorophenyl)methyl]triazol-4-yl]-2-(2-oxopyrrolidin-1-yl)butanamide
CID 122441072
(2S)-2-amino-4-methylsulfanyl-N-(3-methylsulfinylphenyl)butanamide
CID 119300627

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[3-[(R)-methylsulfinyl]phenyl]-2-(2-oxopyrrolidin-1-yl)butanamide?
The IUPAC name of (2S)-N-[3-[(R)-methylsulfinyl]phenyl]-2-(2-oxopyrrolidin-1-yl)butanamide (CID 95943755) is (2S)-N-[3-[(R)-methylsulfinyl]phenyl]-2-(2-oxopyrrolidin-1-yl)butanamide.
What is the SMILES notation for (2S)-N-[3-[(R)-methylsulfinyl]phenyl]-2-(2-oxopyrrolidin-1-yl)butanamide?
The canonical SMILES for (2S)-N-[3-[(R)-methylsulfinyl]phenyl]-2-(2-oxopyrrolidin-1-yl)butanamide is CC[C@@H](C(=O)Nc1cccc([S@@](C)=O)c1)N1CCCC1=O.
What is the InChIKey of (2S)-N-[3-[(R)-methylsulfinyl]phenyl]-2-(2-oxopyrrolidin-1-yl)butanamide?
The InChIKey is IXIOPBVLKHMEGJ-YEJXKQKISA-N. The full InChI is InChI=1S/C15H20N2O3S/c1-3-13(17-9-5-8-14(17)18)15(19)16-11-6-4-7-12(10-11)21(2)20/h4,6-7,10,13H,3,5,8-9H2,1-2H3,(H,16,19)/t13-,21+/m0/s1.
What are the key properties of (2S)-N-[3-[(R)-methylsulfinyl]phenyl]-2-(2-oxopyrrolidin-1-yl)butanamide?
(2S)-N-[3-[(R)-methylsulfinyl]phenyl]-2-(2-oxopyrrolidin-1-yl)butanamide has a molecular weight of 308.40 g/mol, XLogP of 1.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[3-[(R)-methylsulfinyl]phenyl]-2-(2-oxopyrrolidin-1-yl)butanamide is sourced from PubChem (CID 95943755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).