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

C16H16N2OS — CID 969407

IUPACN-(3-cyano-4,5-dimethylthiophen-2-yl)-3,5-dimethylbenzamide
SMILESCc1cc(C)cc(C(=O)Nc2sc(C)c(C)c2C#N)c1
InChIInChI=1S/C16H16N2OS/c1-9-5-10(2)7-13(6-9)15(19)18-16-14(8-17)11(3)12(4)20-16/h5-7H,1-4H3,(H,18,19)
InChIKeyGHBWZORTIIDLJQ-UHFFFAOYSA-N
MW284.38 g/mol
LogP4.11
Rot. Bonds2

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

N-(3-cyano-4,5-dimethylthiophen-2-yl)-3,5-dimethylbenzamide (PubChem CID 969407) has the molecular formula C16H16N2OS and a molecular weight of 284.38 g/mol. Its IUPAC name is N-(3-cyano-4,5-dimethylthiophen-2-yl)-3,5-dimethylbenzamide.

Molecular Properties

Compound NameN-(3-cyano-4,5-dimethylthiophen-2-yl)-3,5-dimethylbenzamide
PubChem CID969407
Molecular FormulaC16H16N2OS
Molecular Weight284.38 g/mol
Exact Mass284.10
IUPAC NameN-(3-cyano-4,5-dimethylthiophen-2-yl)-3,5-dimethylbenzamide
SMILESCc1cc(C)cc(C(=O)Nc2sc(C)c(C)c2C#N)c1
InChIInChI=1S/C16H16N2OS/c1-9-5-10(2)7-13(6-9)15(19)18-16-14(8-17)11(3)12(4)20-16/h5-7H,1-4H3,(H,18,19)
InChIKeyGHBWZORTIIDLJQ-UHFFFAOYSA-N
XLogP4.11
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-3,5-dichloro-N-(3-cyano-4,5-dimethylthiophen-2-yl)benzamide
CID 82812379
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)-3,4-diethoxybenzamide
CID 43981375
N-(3-cyano-4,5-dimethylthiophen-2-yl)-3-ethoxybenzamide
CID 2970676
4,5-dibromo-N-(3-cyano-4,5-dimethylthiophen-2-yl)thiophene-2-carboxamide
CID 22830462
N-(3-cyano-4,5-dimethylthiophen-2-yl)-3-nitrobenzamide
CID 4179547
(3-cyano-4,5-dimethylthiophen-2-yl)urea
CID 130621892
N-(3-cyano-4,5-dimethylthiophen-2-yl)-3-(dimethylsulfamoyl)benzamide
CID 17444399
N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-iodoacetamide
CID 64787572
N-(3-cyano-4,5-dimethylthiophen-2-yl)-3H-benzimidazole-5-carboxamide
CID 60630447
N-(3-cyano-4,5-dimethylthiophen-2-yl)-1H-indazole-6-carboxamide
CID 62905439

Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-4,5-dimethylthiophen-2-yl)-3,5-dimethylbenzamide?
The IUPAC name of N-(3-cyano-4,5-dimethylthiophen-2-yl)-3,5-dimethylbenzamide (CID 969407) is N-(3-cyano-4,5-dimethylthiophen-2-yl)-3,5-dimethylbenzamide.
What is the SMILES notation for N-(3-cyano-4,5-dimethylthiophen-2-yl)-3,5-dimethylbenzamide?
The canonical SMILES for N-(3-cyano-4,5-dimethylthiophen-2-yl)-3,5-dimethylbenzamide is Cc1cc(C)cc(C(=O)Nc2sc(C)c(C)c2C#N)c1.
What is the InChIKey of N-(3-cyano-4,5-dimethylthiophen-2-yl)-3,5-dimethylbenzamide?
The InChIKey is GHBWZORTIIDLJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2OS/c1-9-5-10(2)7-13(6-9)15(19)18-16-14(8-17)11(3)12(4)20-16/h5-7H,1-4H3,(H,18,19).
What are the key properties of N-(3-cyano-4,5-dimethylthiophen-2-yl)-3,5-dimethylbenzamide?
N-(3-cyano-4,5-dimethylthiophen-2-yl)-3,5-dimethylbenzamide has a molecular weight of 284.38 g/mol, XLogP of 4.11, 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)-3,5-dimethylbenzamide is sourced from PubChem (CID 969407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).