(2S)-2-amino-N-[(3R)-1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-N-methyl-4-methylsulfanylbutanamide

C16H22ClN3O2S — CID 124594983

IUPAC(2S)-2-amino-N-[(3R)-1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-N-methyl-4-methylsulfanylbutanamide
SMILESCSCC[C@H](N)C(=O)N(C)[C@@H]1CCN(c2ccccc2Cl)C1=O
InChIInChI=1S/C16H22ClN3O2S/c1-19(15(21)12(18)8-10-23-2)14-7-9-20(16(14)22)13-6-4-3-5-11(13)17/h3-6,12,14H,7-10,18H2,1-2H3/t12-,14+/m0/s1
InChIKeyVGOLFEWSOXRZOY-GXTWGEPZSA-N
MW355.89 g/mol
LogP1.98
Rot. Bonds6

About (2S)-2-amino-N-[(3R)-1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-N-methyl-4-methylsulfanylbutanamide

(2S)-2-amino-N-[(3R)-1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-N-methyl-4-methylsulfanylbutanamide (PubChem CID 124594983) has the molecular formula C16H22ClN3O2S and a molecular weight of 355.89 g/mol. Its IUPAC name is (2S)-2-amino-N-[(3R)-1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-N-methyl-4-methylsulfanylbutanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[(3R)-1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-N-methyl-4-methylsulfanylbutanamide
PubChem CID124594983
Molecular FormulaC16H22ClN3O2S
Molecular Weight355.89 g/mol
Exact Mass355.11
IUPAC Name(2S)-2-amino-N-[(3R)-1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-N-methyl-4-methylsulfanylbutanamide
SMILESCSCC[C@H](N)C(=O)N(C)[C@@H]1CCN(c2ccccc2Cl)C1=O
InChIInChI=1S/C16H22ClN3O2S/c1-19(15(21)12(18)8-10-23-2)14-7-9-20(16(14)22)13-6-4-3-5-11(13)17/h3-6,12,14H,7-10,18H2,1-2H3/t12-,14+/m0/s1
InChIKeyVGOLFEWSOXRZOY-GXTWGEPZSA-N
XLogP1.98
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.89
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-amino-N-[(3R)-1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-N-methyl-4-methylsulfanylbutanamide
CID 124594987
2-amino-N-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-N-methyl-2-phenylacetamide;hydrochloride
CID 119323471
3-amino-N-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-N-methylbutanamide;hydrochloride
CID 119783358
3-amino-N-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-N-methyl-3-phenylpropanamide;hydrochloride
CID 119951461
N-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-N-methyl-2-(methylamino)acetamide
CID 119783339
2-amino-N-methyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)pentanamide;hydrochloride
CID 119319409
3-[[(3S)-1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-methylamino]propanoic acid
CID 129414900
(2S)-2-[[(3R)-1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-methylamino]propanoic acid
CID 124694500
1-[[(3R)-1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 124590941
5-(aminomethyl)-N-[(3S)-1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-N-methylfuran-2-carboxamide
CID 124684296
N-[(3S)-1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-N-methylfuran-3-carboxamide
CID 95310213
1-(2-chlorophenyl)-3-[(2-hydroxy-2-methylpropyl)-methylamino]pyrrolidin-2-one
CID 111113625

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[(3R)-1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-N-methyl-4-methylsulfanylbutanamide?
The IUPAC name of (2S)-2-amino-N-[(3R)-1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-N-methyl-4-methylsulfanylbutanamide (CID 124594983) is (2S)-2-amino-N-[(3R)-1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-N-methyl-4-methylsulfanylbutanamide.
What is the SMILES notation for (2S)-2-amino-N-[(3R)-1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-N-methyl-4-methylsulfanylbutanamide?
The canonical SMILES for (2S)-2-amino-N-[(3R)-1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-N-methyl-4-methylsulfanylbutanamide is CSCC[C@H](N)C(=O)N(C)[C@@H]1CCN(c2ccccc2Cl)C1=O.
What is the InChIKey of (2S)-2-amino-N-[(3R)-1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-N-methyl-4-methylsulfanylbutanamide?
The InChIKey is VGOLFEWSOXRZOY-GXTWGEPZSA-N. The full InChI is InChI=1S/C16H22ClN3O2S/c1-19(15(21)12(18)8-10-23-2)14-7-9-20(16(14)22)13-6-4-3-5-11(13)17/h3-6,12,14H,7-10,18H2,1-2H3/t12-,14+/m0/s1.
What are the key properties of (2S)-2-amino-N-[(3R)-1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-N-methyl-4-methylsulfanylbutanamide?
(2S)-2-amino-N-[(3R)-1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-N-methyl-4-methylsulfanylbutanamide has a molecular weight of 355.89 g/mol, XLogP of 1.98, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[(3R)-1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-N-methyl-4-methylsulfanylbutanamide is sourced from PubChem (CID 124594983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).