N-(3-cyanophenyl)-3-(4-methylphenyl)thiophene-2-carboxamide

C19H14N2OS — CID 9192526

IUPACN-(3-cyanophenyl)-3-(4-methylphenyl)thiophene-2-carboxamide
SMILESCc1ccc(-c2ccsc2C(=O)Nc2cccc(C#N)c2)cc1
InChIInChI=1S/C19H14N2OS/c1-13-5-7-15(8-6-13)17-9-10-23-18(17)19(22)21-16-4-2-3-14(11-16)12-20/h2-11H,1H3,(H,21,22)
InChIKeyJZMWJRQLQRGURI-UHFFFAOYSA-N
MW318.40 g/mol
LogP4.85
Rot. Bonds3

About N-(3-cyanophenyl)-3-(4-methylphenyl)thiophene-2-carboxamide

N-(3-cyanophenyl)-3-(4-methylphenyl)thiophene-2-carboxamide (PubChem CID 9192526) has the molecular formula C19H14N2OS and a molecular weight of 318.40 g/mol. Its IUPAC name is N-(3-cyanophenyl)-3-(4-methylphenyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-3-(4-methylphenyl)thiophene-2-carboxamide
PubChem CID9192526
Molecular FormulaC19H14N2OS
Molecular Weight318.40 g/mol
Exact Mass318.08
IUPAC NameN-(3-cyanophenyl)-3-(4-methylphenyl)thiophene-2-carboxamide
SMILESCc1ccc(-c2ccsc2C(=O)Nc2cccc(C#N)c2)cc1
InChIInChI=1S/C19H14N2OS/c1-13-5-7-15(8-6-13)17-9-10-23-18(17)19(22)21-16-4-2-3-14(11-16)12-20/h2-11H,1H3,(H,21,22)
InChIKeyJZMWJRQLQRGURI-UHFFFAOYSA-N
XLogP4.85
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(3-cyanoanilino)-2-oxoethyl] 3-(4-methylphenyl)thiophene-2-carboxylate
CID 7735360
N-(3-cyanophenyl)-3-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide
CID 63798841
3-(4-methylphenyl)-N-[3-(2,2,2-trifluoroethylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 24600385
N-(2,3-dihydro-1H-inden-5-yl)-3-(4-methylphenyl)thiophene-2-carboxamide
CID 18276754
N-(3-cyanophenyl)-4-[4-[(3-cyanophenyl)carbamoyl]phenyl]benzamide
CID 90213286
N-(3-cyanophenyl)-2-[(dimethylamino)methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 110387311
N-(3-bromophenyl)-3-phenylthiophene-2-carboxamide
CID 26719142
N-(3-cyanophenyl)-2-(4-methylphenyl)-2-oxoacetamide
CID 47121265
N-(2-methyl-1,3-benzothiazol-6-yl)-3-(4-methylphenyl)thiophene-2-carboxamide
CID 7669337
N-[(Z)-(4-cyanophenyl)methylideneamino]-3-(4-methylphenyl)thiophene-2-carboxamide
CID 9027481
N-(3-cyanophenyl)thieno[3,2-b]thiophene-5-carboxamide
CID 112733183
N-[4-fluoro-3-(methanesulfonamido)phenyl]-3-(4-methylphenyl)thiophene-2-carboxamide
CID 112812978

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-3-(4-methylphenyl)thiophene-2-carboxamide?
The IUPAC name of N-(3-cyanophenyl)-3-(4-methylphenyl)thiophene-2-carboxamide (CID 9192526) is N-(3-cyanophenyl)-3-(4-methylphenyl)thiophene-2-carboxamide.
What is the SMILES notation for N-(3-cyanophenyl)-3-(4-methylphenyl)thiophene-2-carboxamide?
The canonical SMILES for N-(3-cyanophenyl)-3-(4-methylphenyl)thiophene-2-carboxamide is Cc1ccc(-c2ccsc2C(=O)Nc2cccc(C#N)c2)cc1.
What is the InChIKey of N-(3-cyanophenyl)-3-(4-methylphenyl)thiophene-2-carboxamide?
The InChIKey is JZMWJRQLQRGURI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2OS/c1-13-5-7-15(8-6-13)17-9-10-23-18(17)19(22)21-16-4-2-3-14(11-16)12-20/h2-11H,1H3,(H,21,22).
What are the key properties of N-(3-cyanophenyl)-3-(4-methylphenyl)thiophene-2-carboxamide?
N-(3-cyanophenyl)-3-(4-methylphenyl)thiophene-2-carboxamide has a molecular weight of 318.40 g/mol, XLogP of 4.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-3-(4-methylphenyl)thiophene-2-carboxamide is sourced from PubChem (CID 9192526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).