(3R)-N-(2-cyclopentylsulfanylphenyl)-1-ethyl-5-oxopyrrolidine-3-carboxamide

C18H24N2O2S — CID 32561436

IUPAC(3R)-N-(2-cyclopentylsulfanylphenyl)-1-ethyl-5-oxopyrrolidine-3-carboxamide
SMILESCCN1C[C@H](C(=O)Nc2ccccc2SC2CCCC2)CC1=O
InChIInChI=1S/C18H24N2O2S/c1-2-20-12-13(11-17(20)21)18(22)19-15-9-5-6-10-16(15)23-14-7-3-4-8-14/h5-6,9-10,13-14H,2-4,7-8,11-12H2,1H3,(H,19,22)/t13-/m1/s1
InChIKeyPRZJEEYBAGTOJG-CYBMUJFWSA-N
MW332.47 g/mol
LogP3.53
Rot. Bonds5

About (3R)-N-(2-cyclopentylsulfanylphenyl)-1-ethyl-5-oxopyrrolidine-3-carboxamide

(3R)-N-(2-cyclopentylsulfanylphenyl)-1-ethyl-5-oxopyrrolidine-3-carboxamide (PubChem CID 32561436) has the molecular formula C18H24N2O2S and a molecular weight of 332.47 g/mol. Its IUPAC name is (3R)-N-(2-cyclopentylsulfanylphenyl)-1-ethyl-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-(2-cyclopentylsulfanylphenyl)-1-ethyl-5-oxopyrrolidine-3-carboxamide
PubChem CID32561436
Molecular FormulaC18H24N2O2S
Molecular Weight332.47 g/mol
Exact Mass332.16
IUPAC Name(3R)-N-(2-cyclopentylsulfanylphenyl)-1-ethyl-5-oxopyrrolidine-3-carboxamide
SMILESCCN1C[C@H](C(=O)Nc2ccccc2SC2CCCC2)CC1=O
InChIInChI=1S/C18H24N2O2S/c1-2-20-12-13(11-17(20)21)18(22)19-15-9-5-6-10-16(15)23-14-7-3-4-8-14/h5-6,9-10,13-14H,2-4,7-8,11-12H2,1H3,(H,19,22)/t13-/m1/s1
InChIKeyPRZJEEYBAGTOJG-CYBMUJFWSA-N
XLogP3.53
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.47
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-cyclopentylsulfanylphenyl)cyclobutanecarboxamide
CID 32562041
(3R)-1-ethyl-N-[2-(methoxymethyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 94118374
(3R)-1-ethyl-N-[2-(2-methylpropyl)-1,3-dihydroisoindol-4-yl]-5-oxopyrrolidine-3-carboxamide
CID 124596685
1-(furan-2-ylmethyl)-N-(2-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 78768111
(2S,4S)-N-(2-cyclopentylsulfanylphenyl)-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120622975
N-(2-cyclopentylsulfanylphenyl)-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 32558972
(3R)-1-butyl-N-[2-(cyclohexylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 41066253
1-(cyclopropylmethyl)-N-[2-(hydroxymethyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 61497970
1-[(2-cyclopentylsulfanylphenyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 122075791
(3R)-1-ethyl-N-[(1R)-1-(2-methylsulfanylphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 124729681
(3S)-1-ethyl-N-[(1R)-1-(2-methylsulfanylphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 124729680
2-[(2-cyclopentylsulfanylphenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 60941402

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(2-cyclopentylsulfanylphenyl)-1-ethyl-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3R)-N-(2-cyclopentylsulfanylphenyl)-1-ethyl-5-oxopyrrolidine-3-carboxamide (CID 32561436) is (3R)-N-(2-cyclopentylsulfanylphenyl)-1-ethyl-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-N-(2-cyclopentylsulfanylphenyl)-1-ethyl-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-N-(2-cyclopentylsulfanylphenyl)-1-ethyl-5-oxopyrrolidine-3-carboxamide is CCN1C[C@H](C(=O)Nc2ccccc2SC2CCCC2)CC1=O.
What is the InChIKey of (3R)-N-(2-cyclopentylsulfanylphenyl)-1-ethyl-5-oxopyrrolidine-3-carboxamide?
The InChIKey is PRZJEEYBAGTOJG-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H24N2O2S/c1-2-20-12-13(11-17(20)21)18(22)19-15-9-5-6-10-16(15)23-14-7-3-4-8-14/h5-6,9-10,13-14H,2-4,7-8,11-12H2,1H3,(H,19,22)/t13-/m1/s1.
What are the key properties of (3R)-N-(2-cyclopentylsulfanylphenyl)-1-ethyl-5-oxopyrrolidine-3-carboxamide?
(3R)-N-(2-cyclopentylsulfanylphenyl)-1-ethyl-5-oxopyrrolidine-3-carboxamide has a molecular weight of 332.47 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(2-cyclopentylsulfanylphenyl)-1-ethyl-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 32561436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).