N-(3-cyano-4,5-dimethylthiophen-2-yl)-3-ethylpyrrolidine-3-carboxamide

C14H19N3OS — CID 63141284

IUPACN-(3-cyano-4,5-dimethylthiophen-2-yl)-3-ethylpyrrolidine-3-carboxamide
SMILESCCC1(C(=O)Nc2sc(C)c(C)c2C#N)CCNC1
InChIInChI=1S/C14H19N3OS/c1-4-14(5-6-16-8-14)13(18)17-12-11(7-15)9(2)10(3)19-12/h16H,4-6,8H2,1-3H3,(H,17,18)
InChIKeyLASILQCXYWTMNE-UHFFFAOYSA-N
MW277.39 g/mol
LogP2.56
Rot. Bonds3

About N-(3-cyano-4,5-dimethylthiophen-2-yl)-3-ethylpyrrolidine-3-carboxamide

N-(3-cyano-4,5-dimethylthiophen-2-yl)-3-ethylpyrrolidine-3-carboxamide (PubChem CID 63141284) has the molecular formula C14H19N3OS and a molecular weight of 277.39 g/mol. Its IUPAC name is N-(3-cyano-4,5-dimethylthiophen-2-yl)-3-ethylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-cyano-4,5-dimethylthiophen-2-yl)-3-ethylpyrrolidine-3-carboxamide
PubChem CID63141284
Molecular FormulaC14H19N3OS
Molecular Weight277.39 g/mol
Exact Mass277.12
IUPAC NameN-(3-cyano-4,5-dimethylthiophen-2-yl)-3-ethylpyrrolidine-3-carboxamide
SMILESCCC1(C(=O)Nc2sc(C)c(C)c2C#N)CCNC1
InChIInChI=1S/C14H19N3OS/c1-4-14(5-6-16-8-14)13(18)17-12-11(7-15)9(2)10(3)19-12/h16H,4-6,8H2,1-3H3,(H,17,18)
InChIKeyLASILQCXYWTMNE-UHFFFAOYSA-N
XLogP2.56
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-cyano-4,5-dimethylthiophen-2-yl)-4-methylpiperidine-4-carboxamide
CID 55178133
N-(3-cyano-4,5-dimethylthiophen-2-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 63710766
1-amino-N-(3-cyano-4,5-dimethylthiophen-2-yl)cyclopropane-1-carboxamide
CID 65464284
N-(2-cyano-3-fluorophenyl)-3-ethylpyrrolidine-3-carboxamide
CID 63138813
2-amino-N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-methylpentanamide
CID 61254032
(3-cyano-4,5-dimethylthiophen-2-yl)urea
CID 130621892
3-ethyl-N-(5-methyl-1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
CID 63140977
N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-iodoacetamide
CID 64787572
N-(4,5-dimethyl-1H-pyrazol-3-yl)-3-ethylpyrrolidine-3-carboxamide
CID 113433636
3-ethyl-N-(1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide
CID 63138876
N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-piperidin-3-ylacetamide
CID 62674565
4-amino-N-(3-cyano-4,5-dimethylthiophen-2-yl)-3-methyloxolane-3-carboxamide
CID 66263312

Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-4,5-dimethylthiophen-2-yl)-3-ethylpyrrolidine-3-carboxamide?
The IUPAC name of N-(3-cyano-4,5-dimethylthiophen-2-yl)-3-ethylpyrrolidine-3-carboxamide (CID 63141284) is N-(3-cyano-4,5-dimethylthiophen-2-yl)-3-ethylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-(3-cyano-4,5-dimethylthiophen-2-yl)-3-ethylpyrrolidine-3-carboxamide?
The canonical SMILES for N-(3-cyano-4,5-dimethylthiophen-2-yl)-3-ethylpyrrolidine-3-carboxamide is CCC1(C(=O)Nc2sc(C)c(C)c2C#N)CCNC1.
What is the InChIKey of N-(3-cyano-4,5-dimethylthiophen-2-yl)-3-ethylpyrrolidine-3-carboxamide?
The InChIKey is LASILQCXYWTMNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3OS/c1-4-14(5-6-16-8-14)13(18)17-12-11(7-15)9(2)10(3)19-12/h16H,4-6,8H2,1-3H3,(H,17,18).
What are the key properties of N-(3-cyano-4,5-dimethylthiophen-2-yl)-3-ethylpyrrolidine-3-carboxamide?
N-(3-cyano-4,5-dimethylthiophen-2-yl)-3-ethylpyrrolidine-3-carboxamide has a molecular weight of 277.39 g/mol, XLogP of 2.56, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-4,5-dimethylthiophen-2-yl)-3-ethylpyrrolidine-3-carboxamide is sourced from PubChem (CID 63141284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).