N-(3-cyano-4,5-dimethylthiophen-2-yl)-4-fluoro-2-methylbenzamide

C15H13FN2OS — CID 115745600

IUPACN-(3-cyano-4,5-dimethylthiophen-2-yl)-4-fluoro-2-methylbenzamide
SMILESCc1cc(F)ccc1C(=O)Nc1sc(C)c(C)c1C#N
InChIInChI=1S/C15H13FN2OS/c1-8-6-11(16)4-5-12(8)14(19)18-15-13(7-17)9(2)10(3)20-15/h4-6H,1-3H3,(H,18,19)
InChIKeyIKFCYLGYXRJOEC-UHFFFAOYSA-N
MW288.35 g/mol
LogP3.94
Rot. Bonds2

About N-(3-cyano-4,5-dimethylthiophen-2-yl)-4-fluoro-2-methylbenzamide

N-(3-cyano-4,5-dimethylthiophen-2-yl)-4-fluoro-2-methylbenzamide (PubChem CID 115745600) has the molecular formula C15H13FN2OS and a molecular weight of 288.35 g/mol. Its IUPAC name is N-(3-cyano-4,5-dimethylthiophen-2-yl)-4-fluoro-2-methylbenzamide.

Molecular Properties

Compound NameN-(3-cyano-4,5-dimethylthiophen-2-yl)-4-fluoro-2-methylbenzamide
PubChem CID115745600
Molecular FormulaC15H13FN2OS
Molecular Weight288.35 g/mol
Exact Mass288.07
IUPAC NameN-(3-cyano-4,5-dimethylthiophen-2-yl)-4-fluoro-2-methylbenzamide
SMILESCc1cc(F)ccc1C(=O)Nc1sc(C)c(C)c1C#N
InChIInChI=1S/C15H13FN2OS/c1-8-6-11(16)4-5-12(8)14(19)18-15-13(7-17)9(2)10(3)20-15/h4-6H,1-3H3,(H,18,19)
InChIKeyIKFCYLGYXRJOEC-UHFFFAOYSA-N
XLogP3.94
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-fluorobenzamide
CID 18089620
N-(3-cyano-4,5-dimethylthiophen-2-yl)-3,5-dimethylbenzamide
CID 969407
3-amino-4-bromo-N-(3-cyano-4,5-dimethylthiophen-2-yl)benzamide
CID 61112822
4-(bromomethyl)-N-(3-cyano-4,5-dimethylthiophen-2-yl)benzamide
CID 102850904
N-(3-cyano-4,5-dimethylthiophen-2-yl)-3-(diethylsulfamoyl)-4-fluorobenzamide
CID 55336598
N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-propan-2-ylsulfonylbenzamide
CID 75403159
N-(3-cyano-4,5-dimethylthiophen-2-yl)-3,4-diethoxybenzamide
CID 43981375
N-(3-cyano-4,5-dimethylthiophen-2-yl)-1H-indole-3-carboxamide
CID 43981400
4,5-dibromo-N-(3-cyano-4,5-dimethylthiophen-2-yl)thiophene-2-carboxamide
CID 22830462
N-(3-cyano-4-fluorophenyl)-4-fluoro-2-methylbenzamide
CID 115745574
ethyl 4-cyano-5-[(4-fluorobenzoyl)amino]-3-methylthiophene-2-carboxylate
CID 2672014
(3-cyano-4,5-dimethylthiophen-2-yl)urea
CID 130621892

Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-4,5-dimethylthiophen-2-yl)-4-fluoro-2-methylbenzamide?
The IUPAC name of N-(3-cyano-4,5-dimethylthiophen-2-yl)-4-fluoro-2-methylbenzamide (CID 115745600) is N-(3-cyano-4,5-dimethylthiophen-2-yl)-4-fluoro-2-methylbenzamide.
What is the SMILES notation for N-(3-cyano-4,5-dimethylthiophen-2-yl)-4-fluoro-2-methylbenzamide?
The canonical SMILES for N-(3-cyano-4,5-dimethylthiophen-2-yl)-4-fluoro-2-methylbenzamide is Cc1cc(F)ccc1C(=O)Nc1sc(C)c(C)c1C#N.
What is the InChIKey of N-(3-cyano-4,5-dimethylthiophen-2-yl)-4-fluoro-2-methylbenzamide?
The InChIKey is IKFCYLGYXRJOEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2OS/c1-8-6-11(16)4-5-12(8)14(19)18-15-13(7-17)9(2)10(3)20-15/h4-6H,1-3H3,(H,18,19).
What are the key properties of N-(3-cyano-4,5-dimethylthiophen-2-yl)-4-fluoro-2-methylbenzamide?
N-(3-cyano-4,5-dimethylthiophen-2-yl)-4-fluoro-2-methylbenzamide has a molecular weight of 288.35 g/mol, XLogP of 3.94, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-4,5-dimethylthiophen-2-yl)-4-fluoro-2-methylbenzamide is sourced from PubChem (CID 115745600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).