4,5-dimethyl-N-(2-methylphenyl)thiophene-3-carboxamide

C14H15NOS — CID 84554418

IUPAC4,5-dimethyl-N-(2-methylphenyl)thiophene-3-carboxamide
SMILESCc1ccccc1NC(=O)c1csc(C)c1C
InChIInChI=1S/C14H15NOS/c1-9-6-4-5-7-13(9)15-14(16)12-8-17-11(3)10(12)2/h4-8H,1-3H3,(H,15,16)
InChIKeyVJXQOUIIQMWOKE-UHFFFAOYSA-N
MW245.35 g/mol
LogP3.93
Rot. Bonds2

About 4,5-dimethyl-N-(2-methylphenyl)thiophene-3-carboxamide

4,5-dimethyl-N-(2-methylphenyl)thiophene-3-carboxamide (PubChem CID 84554418) has the molecular formula C14H15NOS and a molecular weight of 245.35 g/mol. Its IUPAC name is 4,5-dimethyl-N-(2-methylphenyl)thiophene-3-carboxamide.

Molecular Properties

Compound Name4,5-dimethyl-N-(2-methylphenyl)thiophene-3-carboxamide
PubChem CID84554418
Molecular FormulaC14H15NOS
Molecular Weight245.35 g/mol
Exact Mass245.09
IUPAC Name4,5-dimethyl-N-(2-methylphenyl)thiophene-3-carboxamide
SMILESCc1ccccc1NC(=O)c1csc(C)c1C
InChIInChI=1S/C14H15NOS/c1-9-6-4-5-7-13(9)15-14(16)12-8-17-11(3)10(12)2/h4-8H,1-3H3,(H,15,16)
InChIKeyVJXQOUIIQMWOKE-UHFFFAOYSA-N
XLogP3.93
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.35
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4,5-dimethyl-N-phenylthiophene-3-carboxamide
CID 3475307
N-(4-fluoro-2-methylphenyl)-4,5-dimethylthiophene-3-carboxamide
CID 17069419
3-hydroxy-2-methyl-N-(2-methylphenyl)benzamide
CID 82786919
N-(2,4-dichlorophenyl)-4,5-dimethylthiophene-3-carboxamide
CID 84554043
2,5-dimethyl-N-(2-methylphenyl)benzamide
CID 925354
3-methyl-N-(2-methylphenyl)thiophene-2-carboxamide
CID 8714089
N-(2-methylphenyl)-2-(propan-2-ylamino)benzamide
CID 63107622
2-[2-[(2-methylphenyl)carbamoyl]phenyl]benzoic acid
CID 777419
methyl N-[2-methyl-3-[(2-methylphenyl)carbamoyl]phenyl]carbamate
CID 58399637
N-[4-chloro-2-(trifluoromethyl)phenyl]-4,5-dimethylthiophene-3-carboxamide
CID 17172977
2-[2-[(2-methylphenyl)carbamoyl]phenyl]benzoate
CID 4052008
5-bromo-2-methyl-N-(2-methylphenyl)benzamide
CID 65307068

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-N-(2-methylphenyl)thiophene-3-carboxamide?
The IUPAC name of 4,5-dimethyl-N-(2-methylphenyl)thiophene-3-carboxamide (CID 84554418) is 4,5-dimethyl-N-(2-methylphenyl)thiophene-3-carboxamide.
What is the SMILES notation for 4,5-dimethyl-N-(2-methylphenyl)thiophene-3-carboxamide?
The canonical SMILES for 4,5-dimethyl-N-(2-methylphenyl)thiophene-3-carboxamide is Cc1ccccc1NC(=O)c1csc(C)c1C.
What is the InChIKey of 4,5-dimethyl-N-(2-methylphenyl)thiophene-3-carboxamide?
The InChIKey is VJXQOUIIQMWOKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NOS/c1-9-6-4-5-7-13(9)15-14(16)12-8-17-11(3)10(12)2/h4-8H,1-3H3,(H,15,16).
What are the key properties of 4,5-dimethyl-N-(2-methylphenyl)thiophene-3-carboxamide?
4,5-dimethyl-N-(2-methylphenyl)thiophene-3-carboxamide has a molecular weight of 245.35 g/mol, XLogP of 3.93, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-N-(2-methylphenyl)thiophene-3-carboxamide is sourced from PubChem (CID 84554418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).