N-(2,4-dichlorophenyl)-4,5-dimethylthiophene-3-carboxamide

C13H11Cl2NOS — CID 84554043

IUPACN-(2,4-dichlorophenyl)-4,5-dimethylthiophene-3-carboxamide
SMILESCc1scc(C(=O)Nc2ccc(Cl)cc2Cl)c1C
InChIInChI=1S/C13H11Cl2NOS/c1-7-8(2)18-6-10(7)13(17)16-12-4-3-9(14)5-11(12)15/h3-6H,1-2H3,(H,16,17)
InChIKeyJZRJAUPIWHCYBD-UHFFFAOYSA-N
MW300.21 g/mol
LogP4.92
Rot. Bonds2

About N-(2,4-dichlorophenyl)-4,5-dimethylthiophene-3-carboxamide

N-(2,4-dichlorophenyl)-4,5-dimethylthiophene-3-carboxamide (PubChem CID 84554043) has the molecular formula C13H11Cl2NOS and a molecular weight of 300.21 g/mol. Its IUPAC name is N-(2,4-dichlorophenyl)-4,5-dimethylthiophene-3-carboxamide.

Molecular Properties

Compound NameN-(2,4-dichlorophenyl)-4,5-dimethylthiophene-3-carboxamide
PubChem CID84554043
Molecular FormulaC13H11Cl2NOS
Molecular Weight300.21 g/mol
Exact Mass298.99
IUPAC NameN-(2,4-dichlorophenyl)-4,5-dimethylthiophene-3-carboxamide
SMILESCc1scc(C(=O)Nc2ccc(Cl)cc2Cl)c1C
InChIInChI=1S/C13H11Cl2NOS/c1-7-8(2)18-6-10(7)13(17)16-12-4-3-9(14)5-11(12)15/h3-6H,1-2H3,(H,16,17)
InChIKeyJZRJAUPIWHCYBD-UHFFFAOYSA-N
XLogP4.92
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.21
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-chloro-2-(trifluoromethyl)phenyl]-4,5-dimethylthiophene-3-carboxamide
CID 17172977
N-(4-fluoro-2-methylphenyl)-4,5-dimethylthiophene-3-carboxamide
CID 17069419
4,5-dimethyl-N-(2-methylphenyl)thiophene-3-carboxamide
CID 84554418
N-(2,4-dichlorophenyl)-4,5-dimethylthiophene-2-carboxamide
CID 31509073
N-(2,4-dichlorophenyl)-2-[2-[(2,4-dichlorophenyl)carbamoyl]phenyl]benzamide
CID 5150334
N-(2,4-dichlorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 54102334
2-N,5-N-bis(2,4-dichlorophenyl)thiophene-2,5-dicarboxamide
CID 2329395
2-[(2,4-dichlorophenyl)carbamoyl]benzoic acid
CID 3883439
2,5-dibromo-N-(2,4-dichlorophenyl)thiophene-3-carboxamide
CID 113237204
N-(2,4-dichlorophenyl)-1,3-dimethylpyrazole-4-carboxamide
CID 45285316
N-(2,4-dichlorophenyl)-6-methyl-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 134914068
2,4-diamino-N-(2,4-dichlorophenyl)benzamide
CID 61091411

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dichlorophenyl)-4,5-dimethylthiophene-3-carboxamide?
The IUPAC name of N-(2,4-dichlorophenyl)-4,5-dimethylthiophene-3-carboxamide (CID 84554043) is N-(2,4-dichlorophenyl)-4,5-dimethylthiophene-3-carboxamide.
What is the SMILES notation for N-(2,4-dichlorophenyl)-4,5-dimethylthiophene-3-carboxamide?
The canonical SMILES for N-(2,4-dichlorophenyl)-4,5-dimethylthiophene-3-carboxamide is Cc1scc(C(=O)Nc2ccc(Cl)cc2Cl)c1C.
What is the InChIKey of N-(2,4-dichlorophenyl)-4,5-dimethylthiophene-3-carboxamide?
The InChIKey is JZRJAUPIWHCYBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2NOS/c1-7-8(2)18-6-10(7)13(17)16-12-4-3-9(14)5-11(12)15/h3-6H,1-2H3,(H,16,17).
What are the key properties of N-(2,4-dichlorophenyl)-4,5-dimethylthiophene-3-carboxamide?
N-(2,4-dichlorophenyl)-4,5-dimethylthiophene-3-carboxamide has a molecular weight of 300.21 g/mol, XLogP of 4.92, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dichlorophenyl)-4,5-dimethylthiophene-3-carboxamide is sourced from PubChem (CID 84554043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).