N-[(4-cyanophenyl)methyl]-4,5-dimethylthiophene-2-carboxamide

C15H14N2OS — CID 60736885

IUPACN-[(4-cyanophenyl)methyl]-4,5-dimethylthiophene-2-carboxamide
SMILESCc1cc(C(=O)NCc2ccc(C#N)cc2)sc1C
InChIInChI=1S/C15H14N2OS/c1-10-7-14(19-11(10)2)15(18)17-9-13-5-3-12(8-16)4-6-13/h3-7H,9H2,1-2H3,(H,17,18)
InChIKeyMXUGKSZHHDKJCT-UHFFFAOYSA-N
MW270.36 g/mol
LogP3.17
Rot. Bonds3

About N-[(4-cyanophenyl)methyl]-4,5-dimethylthiophene-2-carboxamide

N-[(4-cyanophenyl)methyl]-4,5-dimethylthiophene-2-carboxamide (PubChem CID 60736885) has the molecular formula C15H14N2OS and a molecular weight of 270.36 g/mol. Its IUPAC name is N-[(4-cyanophenyl)methyl]-4,5-dimethylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(4-cyanophenyl)methyl]-4,5-dimethylthiophene-2-carboxamide
PubChem CID60736885
Molecular FormulaC15H14N2OS
Molecular Weight270.36 g/mol
Exact Mass270.08
IUPAC NameN-[(4-cyanophenyl)methyl]-4,5-dimethylthiophene-2-carboxamide
SMILESCc1cc(C(=O)NCc2ccc(C#N)cc2)sc1C
InChIInChI=1S/C15H14N2OS/c1-10-7-14(19-11(10)2)15(18)17-9-13-5-3-12(8-16)4-6-13/h3-7H,9H2,1-2H3,(H,17,18)
InChIKeyMXUGKSZHHDKJCT-UHFFFAOYSA-N
XLogP3.17
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-(hydroxymethyl)phenyl]methyl]-4,5-dimethylthiophene-2-carboxamide
CID 107231462
N-[[4-(N'-hydroxycarbamimidoyl)phenyl]methyl]-4,5-dimethylthiophene-2-carboxamide
CID 76932895
4-cyano-N-[(4,5-dimethylthiophen-2-yl)methyl]benzamide
CID 65243956
N-[[3-(chloromethyl)phenyl]methyl]-4,5-dimethylthiophene-2-carboxamide
CID 113272815
4,5-dimethyl-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]thiophene-2-carboxamide
CID 31445799
N-[(4-cyanophenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxamide
CID 80711669
N-[(4-cyanophenyl)methyl]-5-nitrothiophene-2-carboxamide
CID 103612213
3-chloro-N-[(4-cyanophenyl)methyl]-4-methylthiophene-2-carboxamide
CID 103401660
2-(4-cyanophenyl)-N-[(4-methylphenyl)methyl]acetamide
CID 62403486
N-[(4-cyanophenyl)methyl]-2,5-dimethylfuran-3-carboxamide
CID 47161865
N-cyano-4,5-dimethylthiophene-2-carboxamide
CID 79194270
4-amino-N-[(4-ethylphenyl)methyl]-5-methylthiophene-2-carboxamide
CID 106899155

Frequently Asked Questions

What is the IUPAC name of N-[(4-cyanophenyl)methyl]-4,5-dimethylthiophene-2-carboxamide?
The IUPAC name of N-[(4-cyanophenyl)methyl]-4,5-dimethylthiophene-2-carboxamide (CID 60736885) is N-[(4-cyanophenyl)methyl]-4,5-dimethylthiophene-2-carboxamide.
What is the SMILES notation for N-[(4-cyanophenyl)methyl]-4,5-dimethylthiophene-2-carboxamide?
The canonical SMILES for N-[(4-cyanophenyl)methyl]-4,5-dimethylthiophene-2-carboxamide is Cc1cc(C(=O)NCc2ccc(C#N)cc2)sc1C.
What is the InChIKey of N-[(4-cyanophenyl)methyl]-4,5-dimethylthiophene-2-carboxamide?
The InChIKey is MXUGKSZHHDKJCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2OS/c1-10-7-14(19-11(10)2)15(18)17-9-13-5-3-12(8-16)4-6-13/h3-7H,9H2,1-2H3,(H,17,18).
What are the key properties of N-[(4-cyanophenyl)methyl]-4,5-dimethylthiophene-2-carboxamide?
N-[(4-cyanophenyl)methyl]-4,5-dimethylthiophene-2-carboxamide has a molecular weight of 270.36 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cyanophenyl)methyl]-4,5-dimethylthiophene-2-carboxamide is sourced from PubChem (CID 60736885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).