N-(5-chloro-2-cyanophenyl)-4-methoxythiophene-2-carboxamide

C13H9ClN2O2S — CID 81122801

IUPACN-(5-chloro-2-cyanophenyl)-4-methoxythiophene-2-carboxamide
SMILESCOc1csc(C(=O)Nc2cc(Cl)ccc2C#N)c1
InChIInChI=1S/C13H9ClN2O2S/c1-18-10-5-12(19-7-10)13(17)16-11-4-9(14)3-2-8(11)6-15/h2-5,7H,1H3,(H,16,17)
InChIKeyZICTXEGGONDOIH-UHFFFAOYSA-N
MW292.75 g/mol
LogP3.53
Rot. Bonds3

About N-(5-chloro-2-cyanophenyl)-4-methoxythiophene-2-carboxamide

N-(5-chloro-2-cyanophenyl)-4-methoxythiophene-2-carboxamide (PubChem CID 81122801) has the molecular formula C13H9ClN2O2S and a molecular weight of 292.75 g/mol. Its IUPAC name is N-(5-chloro-2-cyanophenyl)-4-methoxythiophene-2-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-cyanophenyl)-4-methoxythiophene-2-carboxamide
PubChem CID81122801
Molecular FormulaC13H9ClN2O2S
Molecular Weight292.75 g/mol
Exact Mass292.01
IUPAC NameN-(5-chloro-2-cyanophenyl)-4-methoxythiophene-2-carboxamide
SMILESCOc1csc(C(=O)Nc2cc(Cl)ccc2C#N)c1
InChIInChI=1S/C13H9ClN2O2S/c1-18-10-5-12(19-7-10)13(17)16-11-4-9(14)3-2-8(11)6-15/h2-5,7H,1H3,(H,16,17)
InChIKeyZICTXEGGONDOIH-UHFFFAOYSA-N
XLogP3.53
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.75
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-2-[(4-methoxythiophene-2-carbonyl)amino]benzoic acid
CID 81117783
4-chloro-N-(2-cyano-5-methoxyphenyl)benzamide
CID 134868595
N-(5-chloro-2-cyanophenyl)-3-hydroxy-4-methoxybenzamide
CID 79737452
N-(5-chloro-2-cyanophenyl)-4-methylbenzamide
CID 60628684
2,6-dichloro-N-(5-chloro-2-cyanophenyl)benzamide
CID 60628736
N-(2-chloro-3-pyridinyl)-4-methoxythiophene-2-carboxamide
CID 103719575
N-(5-chloro-2-cyanophenyl)-4-fluorobenzamide
CID 60628744
N-(5-bromo-2-cyanophenyl)-5-chloro-2-methoxybenzamide
CID 104880310
N-(5-chloro-2-cyanophenyl)-2,4,6-trifluorobenzamide
CID 65098727
2-chloro-N-(5-chloro-2-cyanophenyl)-4-methylbenzamide
CID 106861258
4-chloro-N-(2,4-dimethoxyphenyl)thiophene-2-carboxamide
CID 110860596
3-bromo-5-chloro-N-(5-chloro-2-cyanophenyl)benzamide
CID 107938866

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-cyanophenyl)-4-methoxythiophene-2-carboxamide?
The IUPAC name of N-(5-chloro-2-cyanophenyl)-4-methoxythiophene-2-carboxamide (CID 81122801) is N-(5-chloro-2-cyanophenyl)-4-methoxythiophene-2-carboxamide.
What is the SMILES notation for N-(5-chloro-2-cyanophenyl)-4-methoxythiophene-2-carboxamide?
The canonical SMILES for N-(5-chloro-2-cyanophenyl)-4-methoxythiophene-2-carboxamide is COc1csc(C(=O)Nc2cc(Cl)ccc2C#N)c1.
What is the InChIKey of N-(5-chloro-2-cyanophenyl)-4-methoxythiophene-2-carboxamide?
The InChIKey is ZICTXEGGONDOIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClN2O2S/c1-18-10-5-12(19-7-10)13(17)16-11-4-9(14)3-2-8(11)6-15/h2-5,7H,1H3,(H,16,17).
What are the key properties of N-(5-chloro-2-cyanophenyl)-4-methoxythiophene-2-carboxamide?
N-(5-chloro-2-cyanophenyl)-4-methoxythiophene-2-carboxamide has a molecular weight of 292.75 g/mol, XLogP of 3.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-cyanophenyl)-4-methoxythiophene-2-carboxamide is sourced from PubChem (CID 81122801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).