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

C13H11Cl2NOS — CID 31509073

IUPACN-(2,4-dichlorophenyl)-4,5-dimethylthiophene-2-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(Cl)cc2Cl)sc1C
InChIInChI=1S/C13H11Cl2NOS/c1-7-5-12(18-8(7)2)13(17)16-11-4-3-9(14)6-10(11)15/h3-6H,1-2H3,(H,16,17)
InChIKeyLDXBGXWKRXXGQI-UHFFFAOYSA-N
MW300.21 g/mol
LogP4.92
Rot. Bonds2

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

N-(2,4-dichlorophenyl)-4,5-dimethylthiophene-2-carboxamide (PubChem CID 31509073) 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-2-carboxamide.

Molecular Properties

Compound NameN-(2,4-dichlorophenyl)-4,5-dimethylthiophene-2-carboxamide
PubChem CID31509073
Molecular FormulaC13H11Cl2NOS
Molecular Weight300.21 g/mol
Exact Mass298.99
IUPAC NameN-(2,4-dichlorophenyl)-4,5-dimethylthiophene-2-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(Cl)cc2Cl)sc1C
InChIInChI=1S/C13H11Cl2NOS/c1-7-5-12(18-8(7)2)13(17)16-11-4-3-9(14)6-10(11)15/h3-6H,1-2H3,(H,16,17)
InChIKeyLDXBGXWKRXXGQI-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-(2-chloro-4-iodophenyl)-4,5-dimethylthiophene-2-carboxamide
CID 47183189
N-(4-chloro-2-iodophenyl)-4,5-dimethylthiophene-2-carboxamide
CID 103766831
2-N,5-N-bis(2,4-dichlorophenyl)thiophene-2,5-dicarboxamide
CID 2329395
4-amino-N-(4-chloro-2-methylphenyl)-5-methylthiophene-2-carboxamide
CID 61093919
N-(5-bromo-2-chlorophenyl)-4,5-dimethylthiophene-2-carboxamide
CID 62998518
N-(2-bromo-4-methylphenyl)-4,5-dimethylthiophene-2-carboxamide
CID 31504674
5-amino-2-[(4,5-dimethylthiophene-2-carbonyl)amino]benzoic acid
CID 65237727
N-(2,4-dichlorophenyl)-4,5-dimethylthiophene-3-carboxamide
CID 84554043
2-[(4,5-dimethylthiophene-2-carbonyl)amino]-5-hydroxybenzoic acid
CID 61405863
N-(4-bromo-2-hydroxyphenyl)-4,5-dimethylthiophene-2-carboxamide
CID 86983600
N-(2,4-dichlorophenyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 7788310
5-chloro-N-(2,4-dichlorophenyl)-4-nitrothiophene-2-carboxamide
CID 110476480

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dichlorophenyl)-4,5-dimethylthiophene-2-carboxamide?
The IUPAC name of N-(2,4-dichlorophenyl)-4,5-dimethylthiophene-2-carboxamide (CID 31509073) is N-(2,4-dichlorophenyl)-4,5-dimethylthiophene-2-carboxamide.
What is the SMILES notation for N-(2,4-dichlorophenyl)-4,5-dimethylthiophene-2-carboxamide?
The canonical SMILES for N-(2,4-dichlorophenyl)-4,5-dimethylthiophene-2-carboxamide is Cc1cc(C(=O)Nc2ccc(Cl)cc2Cl)sc1C.
What is the InChIKey of N-(2,4-dichlorophenyl)-4,5-dimethylthiophene-2-carboxamide?
The InChIKey is LDXBGXWKRXXGQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2NOS/c1-7-5-12(18-8(7)2)13(17)16-11-4-3-9(14)6-10(11)15/h3-6H,1-2H3,(H,16,17).
What are the key properties of N-(2,4-dichlorophenyl)-4,5-dimethylthiophene-2-carboxamide?
N-(2,4-dichlorophenyl)-4,5-dimethylthiophene-2-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-2-carboxamide is sourced from PubChem (CID 31509073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).