(3R)-1-ethyl-N-[(1R)-1-(2-methylsulfanylphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide

C16H22N2O2S — CID 124729681

IUPAC(3R)-1-ethyl-N-[(1R)-1-(2-methylsulfanylphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
SMILESCCN1C[C@H](C(=O)N[C@H](C)c2ccccc2SC)CC1=O
InChIInChI=1S/C16H22N2O2S/c1-4-18-10-12(9-15(18)19)16(20)17-11(2)13-7-5-6-8-14(13)21-3/h5-8,11-12H,4,9-10H2,1-3H3,(H,17,20)/t11-,12-/m1/s1
InChIKeyGOOZNZONNLTQLD-VXGBXAGGSA-N
MW306.43 g/mol
LogP2.45
Rot. Bonds5

About (3R)-1-ethyl-N-[(1R)-1-(2-methylsulfanylphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide

(3R)-1-ethyl-N-[(1R)-1-(2-methylsulfanylphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 124729681) has the molecular formula C16H22N2O2S and a molecular weight of 306.43 g/mol. Its IUPAC name is (3R)-1-ethyl-N-[(1R)-1-(2-methylsulfanylphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-ethyl-N-[(1R)-1-(2-methylsulfanylphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID124729681
Molecular FormulaC16H22N2O2S
Molecular Weight306.43 g/mol
Exact Mass306.14
IUPAC Name(3R)-1-ethyl-N-[(1R)-1-(2-methylsulfanylphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
SMILESCCN1C[C@H](C(=O)N[C@H](C)c2ccccc2SC)CC1=O
InChIInChI=1S/C16H22N2O2S/c1-4-18-10-12(9-15(18)19)16(20)17-11(2)13-7-5-6-8-14(13)21-3/h5-8,11-12H,4,9-10H2,1-3H3,(H,17,20)/t11-,12-/m1/s1
InChIKeyGOOZNZONNLTQLD-VXGBXAGGSA-N
XLogP2.45
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.43
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-ethyl-N-[(1R)-1-(2-methylsulfanylphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 124729680
(3S)-3-[[(3S)-1-ethyl-5-oxopyrrolidine-3-carbonyl]amino]-3-(2-methylphenyl)propanoic acid
CID 124683490
(3R)-N-[(1R)-1-(2-fluorophenyl)ethyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 31401870
(3R)-N-[(1S)-1-(3-ethoxyphenyl)ethyl]-1-ethyl-5-oxopyrrolidine-3-carboxamide
CID 95019921
(3R)-1-benzyl-N-[(1R)-1-naphthalen-1-ylethyl]-5-oxopyrrolidine-3-carboxamide
CID 68914192
(3S)-1-benzyl-N-(1-naphthalen-1-ylethyl)-5-oxopyrrolidine-3-carboxamide
CID 174554990
(3S)-1-benzyl-N-[(1R)-1-naphthalen-1-ylethyl]-5-oxopyrrolidine-3-carboxamide
CID 68914467
1-(2-methylpropyl)-5-oxo-N-(1-phenylethyl)pyrrolidine-3-carboxamide
CID 113182040
1-(3-methylbutyl)-5-oxo-N-(1-phenylethyl)pyrrolidine-3-carboxamide
CID 113185589
(3R)-N-(2-cyclopentylsulfanylphenyl)-1-ethyl-5-oxopyrrolidine-3-carboxamide
CID 32561436
(3S)-1-benzyl-N-[(2R)-butan-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 34269419
N-(1-amino-4-methylpentan-2-yl)-1-ethyl-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 119588613

Frequently Asked Questions

What is the IUPAC name of (3R)-1-ethyl-N-[(1R)-1-(2-methylsulfanylphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3R)-1-ethyl-N-[(1R)-1-(2-methylsulfanylphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide (CID 124729681) is (3R)-1-ethyl-N-[(1R)-1-(2-methylsulfanylphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-1-ethyl-N-[(1R)-1-(2-methylsulfanylphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-1-ethyl-N-[(1R)-1-(2-methylsulfanylphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide is CCN1C[C@H](C(=O)N[C@H](C)c2ccccc2SC)CC1=O.
What is the InChIKey of (3R)-1-ethyl-N-[(1R)-1-(2-methylsulfanylphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is GOOZNZONNLTQLD-VXGBXAGGSA-N. The full InChI is InChI=1S/C16H22N2O2S/c1-4-18-10-12(9-15(18)19)16(20)17-11(2)13-7-5-6-8-14(13)21-3/h5-8,11-12H,4,9-10H2,1-3H3,(H,17,20)/t11-,12-/m1/s1.
What are the key properties of (3R)-1-ethyl-N-[(1R)-1-(2-methylsulfanylphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide?
(3R)-1-ethyl-N-[(1R)-1-(2-methylsulfanylphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 306.43 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-ethyl-N-[(1R)-1-(2-methylsulfanylphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 124729681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).