N-cyclohexyl-1-methyl-5-oxo-2-thiophen-2-ylpyrrolidine-3-carboxamide

C16H22N2O2S — CID 75538079

IUPACN-cyclohexyl-1-methyl-5-oxo-2-thiophen-2-ylpyrrolidine-3-carboxamide
SMILESCN1C(=O)CC(C(=O)NC2CCCCC2)C1c1cccs1
InChIInChI=1S/C16H22N2O2S/c1-18-14(19)10-12(15(18)13-8-5-9-21-13)16(20)17-11-6-3-2-4-7-11/h5,8-9,11-12,15H,2-4,6-7,10H2,1H3,(H,17,20)
InChIKeyREPZYLPHNDMQMH-UHFFFAOYSA-N
MW306.43 g/mol
LogP2.72
Rot. Bonds3

About N-cyclohexyl-1-methyl-5-oxo-2-thiophen-2-ylpyrrolidine-3-carboxamide

N-cyclohexyl-1-methyl-5-oxo-2-thiophen-2-ylpyrrolidine-3-carboxamide (PubChem CID 75538079) has the molecular formula C16H22N2O2S and a molecular weight of 306.43 g/mol. Its IUPAC name is N-cyclohexyl-1-methyl-5-oxo-2-thiophen-2-ylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-1-methyl-5-oxo-2-thiophen-2-ylpyrrolidine-3-carboxamide
PubChem CID75538079
Molecular FormulaC16H22N2O2S
Molecular Weight306.43 g/mol
Exact Mass306.14
IUPAC NameN-cyclohexyl-1-methyl-5-oxo-2-thiophen-2-ylpyrrolidine-3-carboxamide
SMILESCN1C(=O)CC(C(=O)NC2CCCCC2)C1c1cccs1
InChIInChI=1S/C16H22N2O2S/c1-18-14(19)10-12(15(18)13-8-5-9-21-13)16(20)17-11-6-3-2-4-7-11/h5,8-9,11-12,15H,2-4,6-7,10H2,1H3,(H,17,20)
InChIKeyREPZYLPHNDMQMH-UHFFFAOYSA-N
XLogP2.72
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.43
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,3S)-N-cyclopropyl-1-methyl-6-oxo-2-thiophen-2-ylpiperidine-3-carboxamide
CID 95738837
1-methyl-5-oxo-N-(1,3-thiazol-2-yl)-2-thiophen-2-ylpyrrolidine-3-carboxamide
CID 75538089
1-methyl-4-(piperidine-1-carbonyl)-5-thiophen-2-ylpyrrolidin-2-one
CID 75538102
N-cycloheptyl-2-methyl-1-oxo-3-thiophen-2-yl-3,4-dihydroisoquinoline-4-carboxamide
CID 3502744
1-(4-methylphenyl)-N-(1-methylpiperidin-4-yl)-5-oxo-2-thiophen-2-ylpyrrolidine-3-carboxamide
CID 55822927
1-(1-methyl-5-oxo-2-thiophen-2-ylpyrrolidine-3-carbonyl)-N-propan-2-ylpiperidine-4-carboxamide
CID 91953964
(2S,3R)-1-methyl-N-[(2-methylphenyl)methyl]-5-oxo-2-thiophen-2-ylpyrrolidine-3-carboxamide
CID 97457005
4-[[[(2S,3S)-1-methyl-5-oxo-2-thiophen-2-ylpyrrolidine-3-carbonyl]amino]methyl]benzoic acid
CID 125151166
N-(cyclopentylmethyl)-1-methyl-6-oxo-2-thiophen-2-ylpiperidine-3-carboxamide
CID 71687695
(2S,3S)-N-(cyclopropylmethyl)-N,1-dimethyl-5-oxo-2-thiophen-2-ylpyrrolidine-3-carboxamide
CID 95748637
2-[methyl-(1-methyl-5-oxo-2-thiophen-2-ylpyrrolidine-3-carbonyl)amino]acetic acid
CID 119172352
(4R,5S)-1-methyl-4-(morpholine-4-carbonyl)-5-thiophen-2-ylpyrrolidin-2-one
CID 97457021

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-1-methyl-5-oxo-2-thiophen-2-ylpyrrolidine-3-carboxamide?
The IUPAC name of N-cyclohexyl-1-methyl-5-oxo-2-thiophen-2-ylpyrrolidine-3-carboxamide (CID 75538079) is N-cyclohexyl-1-methyl-5-oxo-2-thiophen-2-ylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-cyclohexyl-1-methyl-5-oxo-2-thiophen-2-ylpyrrolidine-3-carboxamide?
The canonical SMILES for N-cyclohexyl-1-methyl-5-oxo-2-thiophen-2-ylpyrrolidine-3-carboxamide is CN1C(=O)CC(C(=O)NC2CCCCC2)C1c1cccs1.
What is the InChIKey of N-cyclohexyl-1-methyl-5-oxo-2-thiophen-2-ylpyrrolidine-3-carboxamide?
The InChIKey is REPZYLPHNDMQMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2S/c1-18-14(19)10-12(15(18)13-8-5-9-21-13)16(20)17-11-6-3-2-4-7-11/h5,8-9,11-12,15H,2-4,6-7,10H2,1H3,(H,17,20).
What are the key properties of N-cyclohexyl-1-methyl-5-oxo-2-thiophen-2-ylpyrrolidine-3-carboxamide?
N-cyclohexyl-1-methyl-5-oxo-2-thiophen-2-ylpyrrolidine-3-carboxamide has a molecular weight of 306.43 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-1-methyl-5-oxo-2-thiophen-2-ylpyrrolidine-3-carboxamide is sourced from PubChem (CID 75538079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).