N-ethyl-5-oxo-1-pentan-3-yl-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide

C17H26N2O2S — CID 112826778

IUPACN-ethyl-5-oxo-1-pentan-3-yl-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide
SMILESCCC(CC)N1CC(C(=O)N(CC)Cc2cccs2)CC1=O
InChIInChI=1S/C17H26N2O2S/c1-4-14(5-2)19-11-13(10-16(19)20)17(21)18(6-3)12-15-8-7-9-22-15/h7-9,13-14H,4-6,10-12H2,1-3H3
InChIKeyQAHULECZHIYNKV-UHFFFAOYSA-N
MW322.47 g/mol
LogP3.13
Rot. Bonds7

About N-ethyl-5-oxo-1-pentan-3-yl-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide

N-ethyl-5-oxo-1-pentan-3-yl-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide (PubChem CID 112826778) has the molecular formula C17H26N2O2S and a molecular weight of 322.47 g/mol. Its IUPAC name is N-ethyl-5-oxo-1-pentan-3-yl-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-5-oxo-1-pentan-3-yl-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide
PubChem CID112826778
Molecular FormulaC17H26N2O2S
Molecular Weight322.47 g/mol
Exact Mass322.17
IUPAC NameN-ethyl-5-oxo-1-pentan-3-yl-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide
SMILESCCC(CC)N1CC(C(=O)N(CC)Cc2cccs2)CC1=O
InChIInChI=1S/C17H26N2O2S/c1-4-14(5-2)19-11-13(10-16(19)20)17(21)18(6-3)12-15-8-7-9-22-15/h7-9,13-14H,4-6,10-12H2,1-3H3
InChIKeyQAHULECZHIYNKV-UHFFFAOYSA-N
XLogP3.13
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.47
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-N-ethyl-1-(furan-2-ylmethyl)-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide
CID 94014797
N-ethyl-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide;hydrochloride
CID 119271520
N-(3-aminopropyl)-N-benzyl-5-oxo-1-pentan-3-ylpyrrolidine-3-carboxamide;hydrochloride
CID 120649054
N-methyl-5-oxo-1-pentan-3-yl-N-(1-phenylethyl)pyrrolidine-3-carboxamide
CID 112826793
(3R)-1-(4-methoxyphenyl)-5-oxo-N-prop-2-enyl-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide
CID 39992942
N-[(3,4-difluorophenyl)methyl]-N-methyl-5-oxo-1-pentan-3-ylpyrrolidine-3-carboxamide
CID 112826789
N,1-bis(furan-2-ylmethyl)-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide
CID 78781697
N-(furan-2-ylmethyl)-1-(4-methylphenyl)-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide
CID 134059206
(3R)-N-benzyl-N-ethyl-1-[(2S)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 9364935
N-ethyl-N-(thiophen-2-ylmethyl)piperidine-1-carboxamide
CID 115578683
N-methyl-5-oxo-1-pentan-3-yl-N-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide
CID 112826771
(3R)-1-benzyl-N-ethyl-5-oxo-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]pyrrolidine-3-carboxamide
CID 8008983

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-oxo-1-pentan-3-yl-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-ethyl-5-oxo-1-pentan-3-yl-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide (CID 112826778) is N-ethyl-5-oxo-1-pentan-3-yl-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-ethyl-5-oxo-1-pentan-3-yl-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-ethyl-5-oxo-1-pentan-3-yl-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide is CCC(CC)N1CC(C(=O)N(CC)Cc2cccs2)CC1=O.
What is the InChIKey of N-ethyl-5-oxo-1-pentan-3-yl-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide?
The InChIKey is QAHULECZHIYNKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2S/c1-4-14(5-2)19-11-13(10-16(19)20)17(21)18(6-3)12-15-8-7-9-22-15/h7-9,13-14H,4-6,10-12H2,1-3H3.
What are the key properties of N-ethyl-5-oxo-1-pentan-3-yl-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide?
N-ethyl-5-oxo-1-pentan-3-yl-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide has a molecular weight of 322.47 g/mol, XLogP of 3.13, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-oxo-1-pentan-3-yl-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 112826778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).