N-[3-oxo-3-(2-thiophen-3-ylpyrrolidin-1-yl)propyl]cyclopentanecarboxamide

C17H24N2O2S — CID 47036904

IUPACN-[3-oxo-3-(2-thiophen-3-ylpyrrolidin-1-yl)propyl]cyclopentanecarboxamide
SMILESO=C(NCCC(=O)N1CCCC1c1ccsc1)C1CCCC1
InChIInChI=1S/C17H24N2O2S/c20-16(7-9-18-17(21)13-4-1-2-5-13)19-10-3-6-15(19)14-8-11-22-12-14/h8,11-13,15H,1-7,9-10H2,(H,18,21)
InChIKeySLQPZALDCVHRGH-UHFFFAOYSA-N
MW320.46 g/mol
LogP3.11
Rot. Bonds5

About N-[3-oxo-3-(2-thiophen-3-ylpyrrolidin-1-yl)propyl]cyclopentanecarboxamide

N-[3-oxo-3-(2-thiophen-3-ylpyrrolidin-1-yl)propyl]cyclopentanecarboxamide (PubChem CID 47036904) has the molecular formula C17H24N2O2S and a molecular weight of 320.46 g/mol. Its IUPAC name is N-[3-oxo-3-(2-thiophen-3-ylpyrrolidin-1-yl)propyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[3-oxo-3-(2-thiophen-3-ylpyrrolidin-1-yl)propyl]cyclopentanecarboxamide
PubChem CID47036904
Molecular FormulaC17H24N2O2S
Molecular Weight320.46 g/mol
Exact Mass320.16
IUPAC NameN-[3-oxo-3-(2-thiophen-3-ylpyrrolidin-1-yl)propyl]cyclopentanecarboxamide
SMILESO=C(NCCC(=O)N1CCCC1c1ccsc1)C1CCCC1
InChIInChI=1S/C17H24N2O2S/c20-16(7-9-18-17(21)13-4-1-2-5-13)19-10-3-6-15(19)14-8-11-22-12-14/h8,11-13,15H,1-7,9-10H2,(H,18,21)
InChIKeySLQPZALDCVHRGH-UHFFFAOYSA-N
XLogP3.11
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.46
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclohexyl-3-[3-oxo-3-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]propyl]urea
CID 94114826
N-[3-oxo-3-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]propyl]methanesulfonamide
CID 94117741
methyl 5-oxo-5-(2-thiophen-3-ylpyrrolidin-1-yl)pentanoate
CID 86792913
3-[(2-thiophen-3-ylpyrrolidine-1-carbonyl)amino]propanoic acid
CID 122019398
4-methyl-1-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]pentan-1-one
CID 51948019
7-amino-1-(2-thiophen-3-ylpyrrolidin-1-yl)heptan-1-one
CID 54871536
cyclopropyl-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]methanone
CID 94117667
1-morpholin-4-yl-4-(2-thiophen-3-ylpyrrolidin-1-yl)butane-1,4-dione
CID 47036037
(2S)-N-(2-oxo-2-piperidin-1-ylethyl)-2-thiophen-3-ylpyrrolidine-1-carboxamide
CID 94103812
1-(2-thiophen-3-ylpiperidin-1-yl)ethanone
CID 102544384
N-[4-oxo-4-[(2S)-2-(1H-pyrazol-4-yl)piperidin-1-yl]butyl]thiophene-3-carboxamide
CID 97085306
2-(butan-2-ylamino)-1-(2-thiophen-3-ylpyrrolidin-1-yl)ethanone
CID 54871562

Frequently Asked Questions

What is the IUPAC name of N-[3-oxo-3-(2-thiophen-3-ylpyrrolidin-1-yl)propyl]cyclopentanecarboxamide?
The IUPAC name of N-[3-oxo-3-(2-thiophen-3-ylpyrrolidin-1-yl)propyl]cyclopentanecarboxamide (CID 47036904) is N-[3-oxo-3-(2-thiophen-3-ylpyrrolidin-1-yl)propyl]cyclopentanecarboxamide.
What is the SMILES notation for N-[3-oxo-3-(2-thiophen-3-ylpyrrolidin-1-yl)propyl]cyclopentanecarboxamide?
The canonical SMILES for N-[3-oxo-3-(2-thiophen-3-ylpyrrolidin-1-yl)propyl]cyclopentanecarboxamide is O=C(NCCC(=O)N1CCCC1c1ccsc1)C1CCCC1.
What is the InChIKey of N-[3-oxo-3-(2-thiophen-3-ylpyrrolidin-1-yl)propyl]cyclopentanecarboxamide?
The InChIKey is SLQPZALDCVHRGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2S/c20-16(7-9-18-17(21)13-4-1-2-5-13)19-10-3-6-15(19)14-8-11-22-12-14/h8,11-13,15H,1-7,9-10H2,(H,18,21).
What are the key properties of N-[3-oxo-3-(2-thiophen-3-ylpyrrolidin-1-yl)propyl]cyclopentanecarboxamide?
N-[3-oxo-3-(2-thiophen-3-ylpyrrolidin-1-yl)propyl]cyclopentanecarboxamide has a molecular weight of 320.46 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-oxo-3-(2-thiophen-3-ylpyrrolidin-1-yl)propyl]cyclopentanecarboxamide is sourced from PubChem (CID 47036904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).