(3S)-N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-1-ethyl-5-oxopyrrolidine-3-carboxamide

C15H19N3O2S — CID 95243359

IUPAC(3S)-N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-1-ethyl-5-oxopyrrolidine-3-carboxamide
SMILESCCc1c(C)sc(NC(=O)[C@H]2CC(=O)N(CC)C2)c1C#N
InChIInChI=1S/C15H19N3O2S/c1-4-11-9(3)21-15(12(11)7-16)17-14(20)10-6-13(19)18(5-2)8-10/h10H,4-6,8H2,1-3H3,(H,17,20)/t10-/m0/s1
InChIKeyOWLBOESXOIWFTA-JTQLQIEISA-N
MW305.40 g/mol
LogP2.30
Rot. Bonds4

About (3S)-N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-1-ethyl-5-oxopyrrolidine-3-carboxamide

(3S)-N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-1-ethyl-5-oxopyrrolidine-3-carboxamide (PubChem CID 95243359) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is (3S)-N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-1-ethyl-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-1-ethyl-5-oxopyrrolidine-3-carboxamide
PubChem CID95243359
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC Name(3S)-N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-1-ethyl-5-oxopyrrolidine-3-carboxamide
SMILESCCc1c(C)sc(NC(=O)[C@H]2CC(=O)N(CC)C2)c1C#N
InChIInChI=1S/C15H19N3O2S/c1-4-11-9(3)21-15(12(11)7-16)17-14(20)10-6-13(19)18(5-2)8-10/h10H,4-6,8H2,1-3H3,(H,17,20)/t10-/m0/s1
InChIKeyOWLBOESXOIWFTA-JTQLQIEISA-N
XLogP2.30
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3S)-N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-1-ethyl-5-oxopyrrolidine-3-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

ethyl 4-cyano-3-methyl-5-[[1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carbonyl]amino]thiophene-2-carboxylate
CID 55336727
trans-(1R,2R)-2-[(3-cyano-4-ethyl-5-methylthiophen-2-yl)carbamoyl]cyclohexane-1-carboxylate
CID 7112581
N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-2-phenylacetamide
CID 3610658
N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-3,3-diphenylpropanamide
CID 4244032
N-(3-carbamoyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-1-ethyl-5-oxopyrrolidine-3-carboxamide
CID 75493335
N-[5-[(2,6-difluorophenyl)methyl]-1,3-thiazol-2-yl]-1-ethyl-5-oxopyrrolidine-3-carboxamide
CID 138058437
4-[(1-ethyl-5-oxopyrrolidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 60809527
ethyl 4-cyano-3-methyl-5-[[1-(3-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]thiophene-2-carboxylate
CID 17308591
N-(4-acetyl-3-cyano-5-methylfuran-2-yl)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide
CID 108740387
(3S)-1-ethyl-5-oxopyrrolidine-3-carboxamide
CID 40586169
ethyl 5-[[1-(3-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]-4-cyano-3-methylthiophene-2-carboxylate
CID 17308595
2-[4-[(1-ethyl-5-oxopyrrolidine-3-carbonyl)amino]phenyl]acetic acid
CID 43358506

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-1-ethyl-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3S)-N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-1-ethyl-5-oxopyrrolidine-3-carboxamide (CID 95243359) is (3S)-N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-1-ethyl-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-1-ethyl-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-1-ethyl-5-oxopyrrolidine-3-carboxamide is CCc1c(C)sc(NC(=O)[C@H]2CC(=O)N(CC)C2)c1C#N.
What is the InChIKey of (3S)-N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-1-ethyl-5-oxopyrrolidine-3-carboxamide?
The InChIKey is OWLBOESXOIWFTA-JTQLQIEISA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-4-11-9(3)21-15(12(11)7-16)17-14(20)10-6-13(19)18(5-2)8-10/h10H,4-6,8H2,1-3H3,(H,17,20)/t10-/m0/s1.
What are the key properties of (3S)-N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-1-ethyl-5-oxopyrrolidine-3-carboxamide?
(3S)-N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-1-ethyl-5-oxopyrrolidine-3-carboxamide has a molecular weight of 305.40 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-1-ethyl-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 95243359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).