N-(3-chlorophenyl)-5-methylthiophene-2-carboxamide

C12H10ClNOS — CID 4810608

IUPACN-(3-chlorophenyl)-5-methylthiophene-2-carboxamide
SMILESCc1ccc(C(=O)Nc2cccc(Cl)c2)s1
InChIInChI=1S/C12H10ClNOS/c1-8-5-6-11(16-8)12(15)14-10-4-2-3-9(13)7-10/h2-7H,1H3,(H,14,15)
InChIKeyJILDHXRJMZGOED-UHFFFAOYSA-N
MW251.74 g/mol
LogP3.96
Rot. Bonds2

About N-(3-chlorophenyl)-5-methylthiophene-2-carboxamide

N-(3-chlorophenyl)-5-methylthiophene-2-carboxamide (PubChem CID 4810608) has the molecular formula C12H10ClNOS and a molecular weight of 251.74 g/mol. Its IUPAC name is N-(3-chlorophenyl)-5-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-5-methylthiophene-2-carboxamide
PubChem CID4810608
Molecular FormulaC12H10ClNOS
Molecular Weight251.74 g/mol
Exact Mass251.02
IUPAC NameN-(3-chlorophenyl)-5-methylthiophene-2-carboxamide
SMILESCc1ccc(C(=O)Nc2cccc(Cl)c2)s1
InChIInChI=1S/C12H10ClNOS/c1-8-5-6-11(16-8)12(15)14-10-4-2-3-9(13)7-10/h2-7H,1H3,(H,14,15)
InChIKeyJILDHXRJMZGOED-UHFFFAOYSA-N
XLogP3.96
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.74
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-(3-bromopropyl)phenyl]-5-methylthiophene-2-carboxamide
CID 113397928
[(2S)-1-(3-chloroanilino)-1-oxopropan-2-yl] 5-methylthiophene-2-carboxylate
CID 2548709
N'-(3-chlorobenzoyl)-5-methylthiophene-2-carbohydrazide
CID 27604628
N-(3-chloro-4-hydroxyphenyl)-5-methylthiophene-2-carboxamide
CID 63935507
5-methyl-N-[3-(1,2,4-triazol-4-ylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 21369531
N-[2-[3-[(3-chlorophenyl)sulfamoyl]-4-methylanilino]-2-oxoethyl]-5-methylthiophene-2-carboxamide
CID 42992241
N-(3-chloro-4-methoxyphenyl)-5-methylthiophene-2-carboxamide
CID 1245952
N-(4-hydroxy-3-methylphenyl)-5-methylthiophene-2-carboxamide
CID 14989717
(E)-N-(3-chlorophenyl)-3-(5-methylthiophen-2-yl)prop-2-enamide
CID 7789534
N-(3-chlorophenyl)-6-methylpyridine-2-carboxamide
CID 31698646
N-(3-chlorophenyl)-2-[(5-methylthiophen-2-yl)methylideneamino]benzamide
CID 71624111
N-(6-chloro-2-pyridinyl)-5-methylthiophene-2-carboxamide
CID 115669462

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-5-methylthiophene-2-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-5-methylthiophene-2-carboxamide (CID 4810608) is N-(3-chlorophenyl)-5-methylthiophene-2-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-5-methylthiophene-2-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-5-methylthiophene-2-carboxamide is Cc1ccc(C(=O)Nc2cccc(Cl)c2)s1.
What is the InChIKey of N-(3-chlorophenyl)-5-methylthiophene-2-carboxamide?
The InChIKey is JILDHXRJMZGOED-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClNOS/c1-8-5-6-11(16-8)12(15)14-10-4-2-3-9(13)7-10/h2-7H,1H3,(H,14,15).
What are the key properties of N-(3-chlorophenyl)-5-methylthiophene-2-carboxamide?
N-(3-chlorophenyl)-5-methylthiophene-2-carboxamide has a molecular weight of 251.74 g/mol, XLogP of 3.96, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-5-methylthiophene-2-carboxamide is sourced from PubChem (CID 4810608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).