5-chloro-N-[1-(2-methylphenyl)ethyl]thiophene-2-carboxamide

C14H14ClNOS — CID 47097917

IUPAC5-chloro-N-[1-(2-methylphenyl)ethyl]thiophene-2-carboxamide
SMILESCc1ccccc1C(C)NC(=O)c1ccc(Cl)s1
InChIInChI=1S/C14H14ClNOS/c1-9-5-3-4-6-11(9)10(2)16-14(17)12-7-8-13(15)18-12/h3-8,10H,1-2H3,(H,16,17)
InChIKeyWBENWBHFPMOVKY-UHFFFAOYSA-N
MW279.79 g/mol
LogP4.20
Rot. Bonds3

About 5-chloro-N-[1-(2-methylphenyl)ethyl]thiophene-2-carboxamide

5-chloro-N-[1-(2-methylphenyl)ethyl]thiophene-2-carboxamide (PubChem CID 47097917) has the molecular formula C14H14ClNOS and a molecular weight of 279.79 g/mol. Its IUPAC name is 5-chloro-N-[1-(2-methylphenyl)ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[1-(2-methylphenyl)ethyl]thiophene-2-carboxamide
PubChem CID47097917
Molecular FormulaC14H14ClNOS
Molecular Weight279.79 g/mol
Exact Mass279.05
IUPAC Name5-chloro-N-[1-(2-methylphenyl)ethyl]thiophene-2-carboxamide
SMILESCc1ccccc1C(C)NC(=O)c1ccc(Cl)s1
InChIInChI=1S/C14H14ClNOS/c1-9-5-3-4-6-11(9)10(2)16-14(17)12-7-8-13(15)18-12/h3-8,10H,1-2H3,(H,16,17)
InChIKeyWBENWBHFPMOVKY-UHFFFAOYSA-N
XLogP4.20
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.79
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-N-[(1S)-1-phenylethyl]thiophene-2-carboxamide
CID 9330177
5-bromo-4-methyl-N-[1-(2-methylphenyl)ethyl]thiophene-2-carboxamide
CID 79998731
4-amino-5-methyl-N-[1-(2-methylphenyl)ethyl]thiophene-2-carboxamide
CID 61118574
N-[(1R)-1-(5-chlorothiophen-2-yl)ethyl]-5-methylthiophene-2-carboxamide
CID 39272941
3,6-dichloro-N-[1-(2-methylphenyl)ethyl]pyridine-2-carboxamide
CID 47097948
2-amino-6-chloro-N-[1-(2-methylphenyl)ethyl]benzamide
CID 63659319
5-chloro-N-[1-(2,6-dimethylphenoxy)propan-2-yl]thiophene-2-carboxamide
CID 3668905
4-N-[1-(2-methylphenyl)ethyl]benzene-1,4-dicarboxamide
CID 51175514
5-chloro-N-[(2R)-1-hydroxypropan-2-yl]thiophene-2-carboxamide
CID 79030843
N-(1-aminopropan-2-yl)-5-chlorothiophene-2-carboxamide
CID 63733398
2-amino-6-methyl-N-[1-(2-methylphenyl)ethyl]benzamide
CID 61118569
2,4-dimethyl-N-[1-(2-methylphenyl)ethyl]-1,3-thiazole-5-carboxamide
CID 78776283

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[1-(2-methylphenyl)ethyl]thiophene-2-carboxamide?
The IUPAC name of 5-chloro-N-[1-(2-methylphenyl)ethyl]thiophene-2-carboxamide (CID 47097917) is 5-chloro-N-[1-(2-methylphenyl)ethyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[1-(2-methylphenyl)ethyl]thiophene-2-carboxamide?
The canonical SMILES for 5-chloro-N-[1-(2-methylphenyl)ethyl]thiophene-2-carboxamide is Cc1ccccc1C(C)NC(=O)c1ccc(Cl)s1.
What is the InChIKey of 5-chloro-N-[1-(2-methylphenyl)ethyl]thiophene-2-carboxamide?
The InChIKey is WBENWBHFPMOVKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNOS/c1-9-5-3-4-6-11(9)10(2)16-14(17)12-7-8-13(15)18-12/h3-8,10H,1-2H3,(H,16,17).
What are the key properties of 5-chloro-N-[1-(2-methylphenyl)ethyl]thiophene-2-carboxamide?
5-chloro-N-[1-(2-methylphenyl)ethyl]thiophene-2-carboxamide has a molecular weight of 279.79 g/mol, XLogP of 4.20, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[1-(2-methylphenyl)ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 47097917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).