3-chloro-N-(3-cyanopentan-3-yl)thiophene-2-carboxamide

C11H13ClN2OS — CID 80644116

IUPAC3-chloro-N-(3-cyanopentan-3-yl)thiophene-2-carboxamide
SMILESCCC(C#N)(CC)NC(=O)c1sccc1Cl
InChIInChI=1S/C11H13ClN2OS/c1-3-11(4-2,7-13)14-10(15)9-8(12)5-6-16-9/h5-6H,3-4H2,1-2H3,(H,14,15)
InChIKeyOBOAQDGMFUFRMB-UHFFFAOYSA-N
MW256.76 g/mol
LogP3.21
Rot. Bonds4

About 3-chloro-N-(3-cyanopentan-3-yl)thiophene-2-carboxamide

3-chloro-N-(3-cyanopentan-3-yl)thiophene-2-carboxamide (PubChem CID 80644116) has the molecular formula C11H13ClN2OS and a molecular weight of 256.76 g/mol. Its IUPAC name is 3-chloro-N-(3-cyanopentan-3-yl)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-(3-cyanopentan-3-yl)thiophene-2-carboxamide
PubChem CID80644116
Molecular FormulaC11H13ClN2OS
Molecular Weight256.76 g/mol
Exact Mass256.04
IUPAC Name3-chloro-N-(3-cyanopentan-3-yl)thiophene-2-carboxamide
SMILESCCC(C#N)(CC)NC(=O)c1sccc1Cl
InChIInChI=1S/C11H13ClN2OS/c1-3-11(4-2,7-13)14-10(15)9-8(12)5-6-16-9/h5-6H,3-4H2,1-2H3,(H,14,15)
InChIKeyOBOAQDGMFUFRMB-UHFFFAOYSA-N
XLogP3.21
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.76
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-(3-cyanopentan-3-yl)-4-methylbenzamide
CID 55163737
N-(3-cyanopentan-3-yl)thieno[3,2-b]thiophene-5-carboxamide
CID 80744969
3-chloro-N-(5-cyano-2-methylphenyl)thiophene-2-carboxamide
CID 80644972
3-chloro-N-(2-hydroxy-2-methylbutyl)thiophene-2-carboxamide
CID 80642213
3-chloro-N-[2-(chloromethyl)-2-ethylbutyl]thiophene-2-carboxamide
CID 106254396
ethyl 2-[(3-chlorothiophene-2-carbonyl)amino]acetate
CID 80641030
N-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)-3-chlorothiophene-2-carboxamide
CID 80645165
3-bromo-N-(2-cyanobutan-2-yl)thiophene-2-carboxamide
CID 55220476
2-chloro-N-(3-cyanopentan-3-yl)-3-fluorobenzamide
CID 81454599
N-(3-cyanopentan-3-yl)-2-hydroxy-4-methoxybenzamide
CID 61120396
N-(3-cyanopentan-3-yl)-3,4-dimethoxybenzamide
CID 61119027
3-chloro-N-(4-cyanobutyl)thiophene-2-carboxamide
CID 80645274

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(3-cyanopentan-3-yl)thiophene-2-carboxamide?
The IUPAC name of 3-chloro-N-(3-cyanopentan-3-yl)thiophene-2-carboxamide (CID 80644116) is 3-chloro-N-(3-cyanopentan-3-yl)thiophene-2-carboxamide.
What is the SMILES notation for 3-chloro-N-(3-cyanopentan-3-yl)thiophene-2-carboxamide?
The canonical SMILES for 3-chloro-N-(3-cyanopentan-3-yl)thiophene-2-carboxamide is CCC(C#N)(CC)NC(=O)c1sccc1Cl.
What is the InChIKey of 3-chloro-N-(3-cyanopentan-3-yl)thiophene-2-carboxamide?
The InChIKey is OBOAQDGMFUFRMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2OS/c1-3-11(4-2,7-13)14-10(15)9-8(12)5-6-16-9/h5-6H,3-4H2,1-2H3,(H,14,15).
What are the key properties of 3-chloro-N-(3-cyanopentan-3-yl)thiophene-2-carboxamide?
3-chloro-N-(3-cyanopentan-3-yl)thiophene-2-carboxamide has a molecular weight of 256.76 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(3-cyanopentan-3-yl)thiophene-2-carboxamide is sourced from PubChem (CID 80644116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).