N-(4-cyano-2-methoxyphenyl)thiophene-3-carboxamide

C13H10N2O2S — CID 113460384

IUPACN-(4-cyano-2-methoxyphenyl)thiophene-3-carboxamide
SMILESCOc1cc(C#N)ccc1NC(=O)c1ccsc1
InChIInChI=1S/C13H10N2O2S/c1-17-12-6-9(7-14)2-3-11(12)15-13(16)10-4-5-18-8-10/h2-6,8H,1H3,(H,15,16)
InChIKeyNOFHSYYUDHAYTL-UHFFFAOYSA-N
MW258.30 g/mol
LogP2.88
Rot. Bonds3

About N-(4-cyano-2-methoxyphenyl)thiophene-3-carboxamide

N-(4-cyano-2-methoxyphenyl)thiophene-3-carboxamide (PubChem CID 113460384) has the molecular formula C13H10N2O2S and a molecular weight of 258.30 g/mol. Its IUPAC name is N-(4-cyano-2-methoxyphenyl)thiophene-3-carboxamide.

Molecular Properties

Compound NameN-(4-cyano-2-methoxyphenyl)thiophene-3-carboxamide
PubChem CID113460384
Molecular FormulaC13H10N2O2S
Molecular Weight258.30 g/mol
Exact Mass258.05
IUPAC NameN-(4-cyano-2-methoxyphenyl)thiophene-3-carboxamide
SMILESCOc1cc(C#N)ccc1NC(=O)c1ccsc1
InChIInChI=1S/C13H10N2O2S/c1-17-12-6-9(7-14)2-3-11(12)15-13(16)10-4-5-18-8-10/h2-6,8H,1H3,(H,15,16)
InChIKeyNOFHSYYUDHAYTL-UHFFFAOYSA-N
XLogP2.88
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-dichloro-N-(4-cyano-2-methoxyphenyl)benzamide
CID 104849139
N-(4-cyano-2-methoxyphenyl)-4-hydrazinylbenzamide
CID 104850045
N-(4-cyano-2-methoxyphenyl)-3,4-difluorobenzamide
CID 104848992
4-amino-N-(4-cyano-2-methoxyphenyl)-3-methylbenzamide
CID 104847820
N-(4-chloro-2,5-dimethoxyphenyl)thiophene-3-carboxamide
CID 17401848
5-bromo-N-(4-cyano-2-methoxyphenyl)pyridine-3-carboxamide
CID 104849115
3-bromo-N-(4-cyano-2-methoxyphenyl)-4-fluorobenzamide
CID 104854951
2-chloro-N-(4-cyano-2-methoxyphenyl)-6-methylpyridine-4-carboxamide
CID 104848528
2-amino-N-(4-cyano-2-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 104848874
N-(4-cyano-2-methoxyphenyl)-6-hydrazinylpyridine-3-carboxamide
CID 104850047
4,5-dimethoxy-2-(thiophene-3-carbonylamino)benzoic acid
CID 16771039
3-(4-cyano-2-methoxyanilino)-2-methyl-3-oxopropanoic acid
CID 114898981

Frequently Asked Questions

What is the IUPAC name of N-(4-cyano-2-methoxyphenyl)thiophene-3-carboxamide?
The IUPAC name of N-(4-cyano-2-methoxyphenyl)thiophene-3-carboxamide (CID 113460384) is N-(4-cyano-2-methoxyphenyl)thiophene-3-carboxamide.
What is the SMILES notation for N-(4-cyano-2-methoxyphenyl)thiophene-3-carboxamide?
The canonical SMILES for N-(4-cyano-2-methoxyphenyl)thiophene-3-carboxamide is COc1cc(C#N)ccc1NC(=O)c1ccsc1.
What is the InChIKey of N-(4-cyano-2-methoxyphenyl)thiophene-3-carboxamide?
The InChIKey is NOFHSYYUDHAYTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O2S/c1-17-12-6-9(7-14)2-3-11(12)15-13(16)10-4-5-18-8-10/h2-6,8H,1H3,(H,15,16).
What are the key properties of N-(4-cyano-2-methoxyphenyl)thiophene-3-carboxamide?
N-(4-cyano-2-methoxyphenyl)thiophene-3-carboxamide has a molecular weight of 258.30 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyano-2-methoxyphenyl)thiophene-3-carboxamide is sourced from PubChem (CID 113460384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).