N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-5-oxo-1-pentan-3-ylpyrrolidine-3-carboxamide

C18H28N2O2S — CID 112826905

IUPACN-[1-(2,5-dimethylthiophen-3-yl)ethyl]-5-oxo-1-pentan-3-ylpyrrolidine-3-carboxamide
SMILESCCC(CC)N1CC(C(=O)NC(C)c2cc(C)sc2C)CC1=O
InChIInChI=1S/C18H28N2O2S/c1-6-15(7-2)20-10-14(9-17(20)21)18(22)19-12(4)16-8-11(3)23-13(16)5/h8,12,14-15H,6-7,9-10H2,1-5H3,(H,19,22)
InChIKeyMBOPSTFWGNYULQ-UHFFFAOYSA-N
MW336.50 g/mol
LogP3.58
Rot. Bonds6

About N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-5-oxo-1-pentan-3-ylpyrrolidine-3-carboxamide

N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-5-oxo-1-pentan-3-ylpyrrolidine-3-carboxamide (PubChem CID 112826905) has the molecular formula C18H28N2O2S and a molecular weight of 336.50 g/mol. Its IUPAC name is N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-5-oxo-1-pentan-3-ylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(2,5-dimethylthiophen-3-yl)ethyl]-5-oxo-1-pentan-3-ylpyrrolidine-3-carboxamide
PubChem CID112826905
Molecular FormulaC18H28N2O2S
Molecular Weight336.50 g/mol
Exact Mass336.19
IUPAC NameN-[1-(2,5-dimethylthiophen-3-yl)ethyl]-5-oxo-1-pentan-3-ylpyrrolidine-3-carboxamide
SMILESCCC(CC)N1CC(C(=O)NC(C)c2cc(C)sc2C)CC1=O
InChIInChI=1S/C18H28N2O2S/c1-6-15(7-2)20-10-14(9-17(20)21)18(22)19-12(4)16-8-11(3)23-13(16)5/h8,12,14-15H,6-7,9-10H2,1-5H3,(H,19,22)
InChIKeyMBOPSTFWGNYULQ-UHFFFAOYSA-N
XLogP3.58
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.50
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(5-oxo-1-pentan-3-ylpyrrolidine-3-carbonyl)amino]propanoic acid
CID 119349166
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-6-oxopiperidine-3-carboxamide
CID 112728851
N-(3,4-dimethylphenyl)-5-oxo-1-pentan-3-ylpyrrolidine-3-carboxamide
CID 112826759
9-amino-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120985595
(2S)-2-[(5-oxo-1-pentan-3-ylpyrrolidine-3-carbonyl)amino]-2-phenylacetic acid
CID 119372748
N-[2-(ethylamino)ethyl]-5-oxo-1-pentan-3-ylpyrrolidine-3-carboxamide
CID 119506044
ethyl 4,5-dimethyl-2-[(5-oxo-1-pentan-3-ylpyrrolidine-3-carbonyl)amino]thiophene-3-carboxylate
CID 112827829
5-oxo-1-pentan-3-yl-N-pyrrolidin-3-ylpyrrolidine-3-carboxamide;hydrochloride
CID 119450895
1-(1-carboxybutan-2-yl)-5-oxopyrrolidine-3-carboxylic acid
CID 168690197
N-(1-amino-2-methylpropan-2-yl)-5-oxo-1-pentan-3-ylpyrrolidine-3-carboxamide
CID 119522458
N-(2-amino-2-phenylethyl)-5-oxo-1-pentan-3-ylpyrrolidine-3-carboxamide;hydrochloride
CID 119528091
1-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-N,4-N-diethylpiperidine-1,4-dicarboxamide
CID 51128770

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-5-oxo-1-pentan-3-ylpyrrolidine-3-carboxamide?
The IUPAC name of N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-5-oxo-1-pentan-3-ylpyrrolidine-3-carboxamide (CID 112826905) is N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-5-oxo-1-pentan-3-ylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-5-oxo-1-pentan-3-ylpyrrolidine-3-carboxamide?
The canonical SMILES for N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-5-oxo-1-pentan-3-ylpyrrolidine-3-carboxamide is CCC(CC)N1CC(C(=O)NC(C)c2cc(C)sc2C)CC1=O.
What is the InChIKey of N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-5-oxo-1-pentan-3-ylpyrrolidine-3-carboxamide?
The InChIKey is MBOPSTFWGNYULQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2S/c1-6-15(7-2)20-10-14(9-17(20)21)18(22)19-12(4)16-8-11(3)23-13(16)5/h8,12,14-15H,6-7,9-10H2,1-5H3,(H,19,22).
What are the key properties of N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-5-oxo-1-pentan-3-ylpyrrolidine-3-carboxamide?
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-5-oxo-1-pentan-3-ylpyrrolidine-3-carboxamide has a molecular weight of 336.50 g/mol, XLogP of 3.58, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-5-oxo-1-pentan-3-ylpyrrolidine-3-carboxamide is sourced from PubChem (CID 112826905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).