3-chloro-N-[(4-cyanophenyl)methyl]-4-methylthiophene-2-carboxamide

C14H11ClN2OS — CID 103401660

IUPAC3-chloro-N-[(4-cyanophenyl)methyl]-4-methylthiophene-2-carboxamide
SMILESCc1csc(C(=O)NCc2ccc(C#N)cc2)c1Cl
InChIInChI=1S/C14H11ClN2OS/c1-9-8-19-13(12(9)15)14(18)17-7-11-4-2-10(6-16)3-5-11/h2-5,8H,7H2,1H3,(H,17,18)
InChIKeyWKXDMBREPHKKHO-UHFFFAOYSA-N
MW290.78 g/mol
LogP3.51
Rot. Bonds3

About 3-chloro-N-[(4-cyanophenyl)methyl]-4-methylthiophene-2-carboxamide

3-chloro-N-[(4-cyanophenyl)methyl]-4-methylthiophene-2-carboxamide (PubChem CID 103401660) has the molecular formula C14H11ClN2OS and a molecular weight of 290.78 g/mol. Its IUPAC name is 3-chloro-N-[(4-cyanophenyl)methyl]-4-methylthiophene-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-[(4-cyanophenyl)methyl]-4-methylthiophene-2-carboxamide
PubChem CID103401660
Molecular FormulaC14H11ClN2OS
Molecular Weight290.78 g/mol
Exact Mass290.03
IUPAC Name3-chloro-N-[(4-cyanophenyl)methyl]-4-methylthiophene-2-carboxamide
SMILESCc1csc(C(=O)NCc2ccc(C#N)cc2)c1Cl
InChIInChI=1S/C14H11ClN2OS/c1-9-8-19-13(12(9)15)14(18)17-7-11-4-2-10(6-16)3-5-11/h2-5,8H,7H2,1H3,(H,17,18)
InChIKeyWKXDMBREPHKKHO-UHFFFAOYSA-N
XLogP3.51
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.78
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-cyanophenyl)methyl]-4,5-dimethylthiophene-2-carboxamide
CID 60736885
N-[(5-bromothiophen-2-yl)methyl]-3-chloro-4-methylthiophene-2-carboxamide
CID 103401936
3-chloro-N-[(4-cyanophenyl)methyl]-2-methylbenzamide
CID 107096765
N-[(4-cyanophenyl)methyl]-4-fluoro-3-methyl-1-benzothiophene-2-carboxamide
CID 134035410
2-(4-chlorophenyl)-N-[(4-cyanophenyl)methyl]acetamide
CID 46587399
2-(4-cyanophenyl)-N-[(4-methylphenyl)methyl]acetamide
CID 62403486
N-(2-aminoethyl)-3-chloro-4-methylthiophene-2-carboxamide
CID 103400298
N-but-3-ynyl-3-chloro-4-methylthiophene-2-carboxamide
CID 103405315
3-chloro-4-methyl-N-(2-methylprop-2-enyl)thiophene-2-carboxamide
CID 103403010
N-[(4-cyanophenyl)methyl]-4-propan-2-ylbenzamide
CID 46591553
N-[[5-(3-aminoprop-1-ynyl)thiophen-2-yl]methyl]-3-chloro-4-methylthiophene-2-carboxamide
CID 103404202
3,6-dichloro-N-[(4-cyanophenyl)methyl]pyridine-2-carboxamide
CID 60736617

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(4-cyanophenyl)methyl]-4-methylthiophene-2-carboxamide?
The IUPAC name of 3-chloro-N-[(4-cyanophenyl)methyl]-4-methylthiophene-2-carboxamide (CID 103401660) is 3-chloro-N-[(4-cyanophenyl)methyl]-4-methylthiophene-2-carboxamide.
What is the SMILES notation for 3-chloro-N-[(4-cyanophenyl)methyl]-4-methylthiophene-2-carboxamide?
The canonical SMILES for 3-chloro-N-[(4-cyanophenyl)methyl]-4-methylthiophene-2-carboxamide is Cc1csc(C(=O)NCc2ccc(C#N)cc2)c1Cl.
What is the InChIKey of 3-chloro-N-[(4-cyanophenyl)methyl]-4-methylthiophene-2-carboxamide?
The InChIKey is WKXDMBREPHKKHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2OS/c1-9-8-19-13(12(9)15)14(18)17-7-11-4-2-10(6-16)3-5-11/h2-5,8H,7H2,1H3,(H,17,18).
What are the key properties of 3-chloro-N-[(4-cyanophenyl)methyl]-4-methylthiophene-2-carboxamide?
3-chloro-N-[(4-cyanophenyl)methyl]-4-methylthiophene-2-carboxamide has a molecular weight of 290.78 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(4-cyanophenyl)methyl]-4-methylthiophene-2-carboxamide is sourced from PubChem (CID 103401660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).