N-(3-chloro-2-methylphenyl)-2,5-dimethylthiophene-3-carboxamide

C14H14ClNOS — CID 29203485

IUPACN-(3-chloro-2-methylphenyl)-2,5-dimethylthiophene-3-carboxamide
SMILESCc1cc(C(=O)Nc2cccc(Cl)c2C)c(C)s1
InChIInChI=1S/C14H14ClNOS/c1-8-7-11(10(3)18-8)14(17)16-13-6-4-5-12(15)9(13)2/h4-7H,1-3H3,(H,16,17)
InChIKeyAOUFBMDTVAYCOE-UHFFFAOYSA-N
MW279.79 g/mol
LogP4.58
Rot. Bonds2

About N-(3-chloro-2-methylphenyl)-2,5-dimethylthiophene-3-carboxamide

N-(3-chloro-2-methylphenyl)-2,5-dimethylthiophene-3-carboxamide (PubChem CID 29203485) has the molecular formula C14H14ClNOS and a molecular weight of 279.79 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-2,5-dimethylthiophene-3-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-2,5-dimethylthiophene-3-carboxamide
PubChem CID29203485
Molecular FormulaC14H14ClNOS
Molecular Weight279.79 g/mol
Exact Mass279.05
IUPAC NameN-(3-chloro-2-methylphenyl)-2,5-dimethylthiophene-3-carboxamide
SMILESCc1cc(C(=O)Nc2cccc(Cl)c2C)c(C)s1
InChIInChI=1S/C14H14ClNOS/c1-8-7-11(10(3)18-8)14(17)16-13-6-4-5-12(15)9(13)2/h4-7H,1-3H3,(H,16,17)
InChIKeyAOUFBMDTVAYCOE-UHFFFAOYSA-N
XLogP4.58
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.79
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-bromophenyl)-2,5-dimethylthiophene-3-carboxamide
CID 33142040
2,4-dibromo-N-(3-chloro-2-methylphenyl)benzamide
CID 113345152
1,3-bis(3-chloro-2-methylphenyl)urea
CID 588174
2-[2-[(2,5-dimethylthiophene-3-carbonyl)amino]phenyl]acetic acid
CID 62534196
N-(3-chloro-2-methylphenyl)-4-(methylamino)pyridine-3-carboxamide
CID 81234663
N-(3-chloro-2-methylphenyl)-2-methyl-5-(methylsulfamoyl)benzamide
CID 51297779
N-(3-chloro-2-methylphenyl)-6-methylpyridine-2-carboxamide
CID 31759188
2-chloro-N-(3-chloro-2-methylphenyl)-5-nitrobenzamide
CID 2323396
2-bromo-N-(3-chloro-2-methylphenyl)-4-fluorobenzamide
CID 24699585
6-chloro-N-(3-chloro-2-methylphenyl)pyridazine-3-carboxamide
CID 54927236
N-(3-chloro-2-methylphenyl)-5-(dimethylsulfamoyl)-2-methylbenzamide
CID 8780488
5-amino-N-(3-chloro-2-methylphenyl)-2-methylpyridine-3-carboxamide
CID 54917147

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-2,5-dimethylthiophene-3-carboxamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-2,5-dimethylthiophene-3-carboxamide (CID 29203485) is N-(3-chloro-2-methylphenyl)-2,5-dimethylthiophene-3-carboxamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-2,5-dimethylthiophene-3-carboxamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-2,5-dimethylthiophene-3-carboxamide is Cc1cc(C(=O)Nc2cccc(Cl)c2C)c(C)s1.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-2,5-dimethylthiophene-3-carboxamide?
The InChIKey is AOUFBMDTVAYCOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNOS/c1-8-7-11(10(3)18-8)14(17)16-13-6-4-5-12(15)9(13)2/h4-7H,1-3H3,(H,16,17).
What are the key properties of N-(3-chloro-2-methylphenyl)-2,5-dimethylthiophene-3-carboxamide?
N-(3-chloro-2-methylphenyl)-2,5-dimethylthiophene-3-carboxamide has a molecular weight of 279.79 g/mol, XLogP of 4.58, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-2,5-dimethylthiophene-3-carboxamide is sourced from PubChem (CID 29203485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).