(3R)-1-(4-ethylphenyl)-N-[[(3S)-3-hydroxythiolan-3-yl]methyl]-5-oxopyrrolidine-3-carboxamide

C18H24N2O3S — CID 95787073

IUPAC(3R)-1-(4-ethylphenyl)-N-[[(3S)-3-hydroxythiolan-3-yl]methyl]-5-oxopyrrolidine-3-carboxamide
SMILESCCc1ccc(N2C[C@H](C(=O)NC[C@@]3(O)CCSC3)CC2=O)cc1
InChIInChI=1S/C18H24N2O3S/c1-2-13-3-5-15(6-4-13)20-10-14(9-16(20)21)17(22)19-11-18(23)7-8-24-12-18/h3-6,14,23H,2,7-12H2,1H3,(H,19,22)/t14-,18+/m1/s1
InChIKeySOVROQOVUQWJIQ-KDOFPFPSSA-N
MW348.47 g/mol
LogP1.59
Rot. Bonds5

About (3R)-1-(4-ethylphenyl)-N-[[(3S)-3-hydroxythiolan-3-yl]methyl]-5-oxopyrrolidine-3-carboxamide

(3R)-1-(4-ethylphenyl)-N-[[(3S)-3-hydroxythiolan-3-yl]methyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 95787073) has the molecular formula C18H24N2O3S and a molecular weight of 348.47 g/mol. Its IUPAC name is (3R)-1-(4-ethylphenyl)-N-[[(3S)-3-hydroxythiolan-3-yl]methyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(4-ethylphenyl)-N-[[(3S)-3-hydroxythiolan-3-yl]methyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID95787073
Molecular FormulaC18H24N2O3S
Molecular Weight348.47 g/mol
Exact Mass348.15
IUPAC Name(3R)-1-(4-ethylphenyl)-N-[[(3S)-3-hydroxythiolan-3-yl]methyl]-5-oxopyrrolidine-3-carboxamide
SMILESCCc1ccc(N2C[C@H](C(=O)NC[C@@]3(O)CCSC3)CC2=O)cc1
InChIInChI=1S/C18H24N2O3S/c1-2-13-3-5-15(6-4-13)20-10-14(9-16(20)21)17(22)19-11-18(23)7-8-24-12-18/h3-6,14,23H,2,7-12H2,1H3,(H,19,22)/t14-,18+/m1/s1
InChIKeySOVROQOVUQWJIQ-KDOFPFPSSA-N
XLogP1.59
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (3R)-1-(4-ethylphenyl)-N-[[(3S)-3-hydroxythiolan-3-yl]methyl]-5-oxopyrrolidine-3-carboxamide with MolForge

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Related Compounds

(3S)-N-(2-acetamidoethyl)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 30595737
N-[2-(ethylamino)ethyl]-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 119506622
(3R)-1-(4-ethylphenyl)-N-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide
CID 691497
1-(4-ethylphenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 120888949
1-(4-ethylphenyl)-N-(2-methylsulfonylethyl)-5-oxopyrrolidine-3-carboxamide
CID 60545522
(3R)-N-(3-chloropropyl)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 7438680
1-(4-ethylphenyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 3116947
(3S)-N-(3-ethylphenyl)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 7935157
N-[1-(aminomethyl)cyclopentyl]-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 119566358
N-[(4-acetamidophenyl)methyl]-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 18153844
(3R)-1-(4-ethylphenyl)-5-oxo-N-(1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide
CID 7438685
1-[[(3S)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 95619416

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(4-ethylphenyl)-N-[[(3S)-3-hydroxythiolan-3-yl]methyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3R)-1-(4-ethylphenyl)-N-[[(3S)-3-hydroxythiolan-3-yl]methyl]-5-oxopyrrolidine-3-carboxamide (CID 95787073) is (3R)-1-(4-ethylphenyl)-N-[[(3S)-3-hydroxythiolan-3-yl]methyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(4-ethylphenyl)-N-[[(3S)-3-hydroxythiolan-3-yl]methyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-1-(4-ethylphenyl)-N-[[(3S)-3-hydroxythiolan-3-yl]methyl]-5-oxopyrrolidine-3-carboxamide is CCc1ccc(N2C[C@H](C(=O)NC[C@@]3(O)CCSC3)CC2=O)cc1.
What is the InChIKey of (3R)-1-(4-ethylphenyl)-N-[[(3S)-3-hydroxythiolan-3-yl]methyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is SOVROQOVUQWJIQ-KDOFPFPSSA-N. The full InChI is InChI=1S/C18H24N2O3S/c1-2-13-3-5-15(6-4-13)20-10-14(9-16(20)21)17(22)19-11-18(23)7-8-24-12-18/h3-6,14,23H,2,7-12H2,1H3,(H,19,22)/t14-,18+/m1/s1.
What are the key properties of (3R)-1-(4-ethylphenyl)-N-[[(3S)-3-hydroxythiolan-3-yl]methyl]-5-oxopyrrolidine-3-carboxamide?
(3R)-1-(4-ethylphenyl)-N-[[(3S)-3-hydroxythiolan-3-yl]methyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 348.47 g/mol, XLogP of 1.59, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(4-ethylphenyl)-N-[[(3S)-3-hydroxythiolan-3-yl]methyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 95787073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).