N-cyclooctyl-2-methyl-5-oxo-1-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide

C19H28N2O2S — CID 5053118

IUPACN-cyclooctyl-2-methyl-5-oxo-1-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide
SMILESCC1(C(=O)NC2CCCCCCC2)CCC(=O)N1Cc1cccs1
InChIInChI=1S/C19H28N2O2S/c1-19(18(23)20-15-8-5-3-2-4-6-9-15)12-11-17(22)21(19)14-16-10-7-13-24-16/h7,10,13,15H,2-6,8-9,11-12,14H2,1H3,(H,20,23)
InChIKeyVQWDGODSJQVSBX-UHFFFAOYSA-N
MW348.51 g/mol
LogP3.86
Rot. Bonds4

About N-cyclooctyl-2-methyl-5-oxo-1-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide

N-cyclooctyl-2-methyl-5-oxo-1-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide (PubChem CID 5053118) has the molecular formula C19H28N2O2S and a molecular weight of 348.51 g/mol. Its IUPAC name is N-cyclooctyl-2-methyl-5-oxo-1-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-cyclooctyl-2-methyl-5-oxo-1-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide
PubChem CID5053118
Molecular FormulaC19H28N2O2S
Molecular Weight348.51 g/mol
Exact Mass348.19
IUPAC NameN-cyclooctyl-2-methyl-5-oxo-1-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide
SMILESCC1(C(=O)NC2CCCCCCC2)CCC(=O)N1Cc1cccs1
InChIInChI=1S/C19H28N2O2S/c1-19(18(23)20-15-8-5-3-2-4-6-9-15)12-11-17(22)21(19)14-16-10-7-13-24-16/h7,10,13,15H,2-6,8-9,11-12,14H2,1H3,(H,20,23)
InChIKeyVQWDGODSJQVSBX-UHFFFAOYSA-N
XLogP3.86
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.51
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-cyclooctyl-2-methyl-5-oxo-1-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-1-[(2S)-2-[(2S)-2-aminopropanamido]-3-methylbutanoyl]-N-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide
CID 11258581
N-[2-(dimethylamino)-2-phenylethyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 4786487
Proline scaffold, 32
CID 42618129
2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 2551998
N-cyclopentyl-N~2~-(thiophen-2-ylacetyl)-N~2~-(thiophen-2-ylmethyl)isovalinamide
CID 3242787
N-[1-(cyclohexylcarbamoyl)cyclohexyl]-5-oxo-N-(thiophen-2-ylmethyl)prolinamide
CID 3881425
2-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 4425543
(2S,4S)-4-Fluoro-1-{N-[1-methyl-1-(2-thienyl)-ethyl]glycyl}pyrrolidine-2-carbonitrile
CID 44560154
N,N-dimethyl-5-oxo-1-(2-thienylmethyl)-2-pyrrolidinecarboxamide
CID 3811771
1-isopropyl-5-oxo-N-(thien-2-ylmethyl)prolinamide
CID 4139790
N-cyclohexyl-2-methyl-5-oxo-1-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide
CID 4306436
Proline scaffold, 12
CID 42618110

Frequently Asked Questions

What is the IUPAC name of N-cyclooctyl-2-methyl-5-oxo-1-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide?
The IUPAC name of N-cyclooctyl-2-methyl-5-oxo-1-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide (CID 5053118) is N-cyclooctyl-2-methyl-5-oxo-1-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for N-cyclooctyl-2-methyl-5-oxo-1-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide?
The canonical SMILES for N-cyclooctyl-2-methyl-5-oxo-1-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide is CC1(C(=O)NC2CCCCCCC2)CCC(=O)N1Cc1cccs1.
What is the InChIKey of N-cyclooctyl-2-methyl-5-oxo-1-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide?
The InChIKey is VQWDGODSJQVSBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O2S/c1-19(18(23)20-15-8-5-3-2-4-6-9-15)12-11-17(22)21(19)14-16-10-7-13-24-16/h7,10,13,15H,2-6,8-9,11-12,14H2,1H3,(H,20,23).
What are the key properties of N-cyclooctyl-2-methyl-5-oxo-1-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide?
N-cyclooctyl-2-methyl-5-oxo-1-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide has a molecular weight of 348.51 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclooctyl-2-methyl-5-oxo-1-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 5053118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).