1-cyclopentyl-5-oxo-N-[phenyl(thiophen-2-yl)methyl]pyrrolidine-3-carboxamide

C21H24N2O2S — CID 46566073

IUPAC1-cyclopentyl-5-oxo-N-[phenyl(thiophen-2-yl)methyl]pyrrolidine-3-carboxamide
SMILESO=C(NC(c1ccccc1)c1cccs1)C1CC(=O)N(C2CCCC2)C1
InChIInChI=1S/C21H24N2O2S/c24-19-13-16(14-23(19)17-9-4-5-10-17)21(25)22-20(18-11-6-12-26-18)15-7-2-1-3-8-15/h1-3,6-8,11-12,16-17,20H,4-5,9-10,13-14H2,(H,22,25)
InChIKeyXAHKQZXUKGZDHE-UHFFFAOYSA-N
MW368.50 g/mol
LogP3.74
Rot. Bonds5

About 1-cyclopentyl-5-oxo-N-[phenyl(thiophen-2-yl)methyl]pyrrolidine-3-carboxamide

1-cyclopentyl-5-oxo-N-[phenyl(thiophen-2-yl)methyl]pyrrolidine-3-carboxamide (PubChem CID 46566073) has the molecular formula C21H24N2O2S and a molecular weight of 368.50 g/mol. Its IUPAC name is 1-cyclopentyl-5-oxo-N-[phenyl(thiophen-2-yl)methyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-cyclopentyl-5-oxo-N-[phenyl(thiophen-2-yl)methyl]pyrrolidine-3-carboxamide
PubChem CID46566073
Molecular FormulaC21H24N2O2S
Molecular Weight368.50 g/mol
Exact Mass368.16
IUPAC Name1-cyclopentyl-5-oxo-N-[phenyl(thiophen-2-yl)methyl]pyrrolidine-3-carboxamide
SMILESO=C(NC(c1ccccc1)c1cccs1)C1CC(=O)N(C2CCCC2)C1
InChIInChI=1S/C21H24N2O2S/c24-19-13-16(14-23(19)17-9-4-5-10-17)21(25)22-20(18-11-6-12-26-18)15-7-2-1-3-8-15/h1-3,6-8,11-12,16-17,20H,4-5,9-10,13-14H2,(H,22,25)
InChIKeyXAHKQZXUKGZDHE-UHFFFAOYSA-N
XLogP3.74
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.50
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzhydryl-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide
CID 17257415
(3R)-1-methyl-5-oxo-N-[(R)-phenyl(thiophen-2-yl)methyl]pyrrolidine-3-carboxamide
CID 94092118
3-[(1-cyclopentyl-5-oxopyrrolidine-3-carbonyl)amino]-3-phenylpropanoic acid
CID 119136689
1-cyclopentyl-N-(2-hydroxy-1-phenylethyl)-5-oxopyrrolidine-3-carboxamide
CID 110931202
methyl 3-[(1-cyclopentyl-5-oxopyrrolidine-3-carbonyl)amino]-3-thiophen-2-ylpropanoate
CID 86917257
(3R)-1-cyclopropyl-N-[(S)-(2-methoxyphenyl)-phenylmethyl]-5-oxopyrrolidine-3-carboxamide
CID 92601337
1-cyclohexyl-5-oxo-N-(2-phenyl-2-piperidin-1-ylethyl)pyrrolidine-3-carboxamide
CID 110605730
(3S)-1-cyclopentyl-5-oxo-N-thiophen-2-ylsulfonylpyrrolidine-3-carboxamide
CID 94186669
(3S)-1-cyclohexyl-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 2266114
1,1-dioxo-N-[phenyl(thiophen-2-yl)methyl]thiolane-3-carboxamide
CID 18090427
(3S)-1-cyclopropyl-N-[(1S)-1,2-diphenylethyl]-5-oxopyrrolidine-3-carboxamide
CID 32580925
1-cyclopentyl-N-(dicyclopropylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 71943339

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-5-oxo-N-[phenyl(thiophen-2-yl)methyl]pyrrolidine-3-carboxamide?
The IUPAC name of 1-cyclopentyl-5-oxo-N-[phenyl(thiophen-2-yl)methyl]pyrrolidine-3-carboxamide (CID 46566073) is 1-cyclopentyl-5-oxo-N-[phenyl(thiophen-2-yl)methyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-cyclopentyl-5-oxo-N-[phenyl(thiophen-2-yl)methyl]pyrrolidine-3-carboxamide?
The canonical SMILES for 1-cyclopentyl-5-oxo-N-[phenyl(thiophen-2-yl)methyl]pyrrolidine-3-carboxamide is O=C(NC(c1ccccc1)c1cccs1)C1CC(=O)N(C2CCCC2)C1.
What is the InChIKey of 1-cyclopentyl-5-oxo-N-[phenyl(thiophen-2-yl)methyl]pyrrolidine-3-carboxamide?
The InChIKey is XAHKQZXUKGZDHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O2S/c24-19-13-16(14-23(19)17-9-4-5-10-17)21(25)22-20(18-11-6-12-26-18)15-7-2-1-3-8-15/h1-3,6-8,11-12,16-17,20H,4-5,9-10,13-14H2,(H,22,25).
What are the key properties of 1-cyclopentyl-5-oxo-N-[phenyl(thiophen-2-yl)methyl]pyrrolidine-3-carboxamide?
1-cyclopentyl-5-oxo-N-[phenyl(thiophen-2-yl)methyl]pyrrolidine-3-carboxamide has a molecular weight of 368.50 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-5-oxo-N-[phenyl(thiophen-2-yl)methyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 46566073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).