N-(2-chlorocyclohexyl)-5-methylthiophene-2-carboxamide

C12H16ClNOS — CID 114301167

IUPACN-(2-chlorocyclohexyl)-5-methylthiophene-2-carboxamide
SMILESCc1ccc(C(=O)NC2CCCCC2Cl)s1
InChIInChI=1S/C12H16ClNOS/c1-8-6-7-11(16-8)12(15)14-10-5-3-2-4-9(10)13/h6-7,9-10H,2-5H2,1H3,(H,14,15)
InChIKeyBBXDBROQIJTVFY-UHFFFAOYSA-N
MW257.79 g/mol
LogP3.34
Rot. Bonds2

About N-(2-chlorocyclohexyl)-5-methylthiophene-2-carboxamide

N-(2-chlorocyclohexyl)-5-methylthiophene-2-carboxamide (PubChem CID 114301167) has the molecular formula C12H16ClNOS and a molecular weight of 257.79 g/mol. Its IUPAC name is N-(2-chlorocyclohexyl)-5-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-chlorocyclohexyl)-5-methylthiophene-2-carboxamide
PubChem CID114301167
Molecular FormulaC12H16ClNOS
Molecular Weight257.79 g/mol
Exact Mass257.06
IUPAC NameN-(2-chlorocyclohexyl)-5-methylthiophene-2-carboxamide
SMILESCc1ccc(C(=O)NC2CCCCC2Cl)s1
InChIInChI=1S/C12H16ClNOS/c1-8-6-7-11(16-8)12(15)14-10-5-3-2-4-9(10)13/h6-7,9-10H,2-5H2,1H3,(H,14,15)
InChIKeyBBXDBROQIJTVFY-UHFFFAOYSA-N
XLogP3.34
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.79
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-[(1S,2S)-2-hydroxycyclohexyl]-5-methylthiophene-2-carboxamide
CID 104957425
5-chloro-N-(2-chlorocyclohexyl)thiophene-2-carboxamide
CID 114301266
N-(2-chlorocyclohexyl)thiophene-2-carboxamide
CID 114301056
N-(2-cyclopentyl-2-hydroxyethyl)-5-methylthiophene-2-carboxamide
CID 111426354
N-[(1R,2R,3R)-2-hydroxy-3-imidazol-1-ylcyclohexyl]-5-methylthiophene-2-carboxamide
CID 110127788
N-[(2R,3S,4S)-3-hydroxy-2-(hydroxymethyl)oxan-4-yl]-5-methylthiophene-2-carboxamide
CID 154823440
N-(2-chlorocyclohexyl)-4-fluoro-3-methylbenzamide
CID 114301095
4-bromo-N-(2-chlorocyclohexyl)-2-methylbenzamide
CID 113272606
5-bromo-N-(2-hydroxycyclohexyl)thiophene-2-carboxamide
CID 62360157
N-(2-chlorocycloheptyl)-3-methylpyridine-2-carboxamide
CID 113395039
4-bromo-N-(2-chlorocycloheptyl)-2-methylbenzamide
CID 113395058
N-(2-chlorocyclohexyl)-4-methylthiadiazole-5-carboxamide
CID 114301139

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorocyclohexyl)-5-methylthiophene-2-carboxamide?
The IUPAC name of N-(2-chlorocyclohexyl)-5-methylthiophene-2-carboxamide (CID 114301167) is N-(2-chlorocyclohexyl)-5-methylthiophene-2-carboxamide.
What is the SMILES notation for N-(2-chlorocyclohexyl)-5-methylthiophene-2-carboxamide?
The canonical SMILES for N-(2-chlorocyclohexyl)-5-methylthiophene-2-carboxamide is Cc1ccc(C(=O)NC2CCCCC2Cl)s1.
What is the InChIKey of N-(2-chlorocyclohexyl)-5-methylthiophene-2-carboxamide?
The InChIKey is BBXDBROQIJTVFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNOS/c1-8-6-7-11(16-8)12(15)14-10-5-3-2-4-9(10)13/h6-7,9-10H,2-5H2,1H3,(H,14,15).
What are the key properties of N-(2-chlorocyclohexyl)-5-methylthiophene-2-carboxamide?
N-(2-chlorocyclohexyl)-5-methylthiophene-2-carboxamide has a molecular weight of 257.79 g/mol, XLogP of 3.34, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorocyclohexyl)-5-methylthiophene-2-carboxamide is sourced from PubChem (CID 114301167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).