N-(2-chlorocyclohexyl)thiophene-2-carboxamide

C11H14ClNOS — CID 114301056

IUPACN-(2-chlorocyclohexyl)thiophene-2-carboxamide
SMILESO=C(NC1CCCCC1Cl)c1cccs1
InChIInChI=1S/C11H14ClNOS/c12-8-4-1-2-5-9(8)13-11(14)10-6-3-7-15-10/h3,6-9H,1-2,4-5H2,(H,13,14)
InChIKeyBLWCDRDHMQWVCJ-UHFFFAOYSA-N
MW243.76 g/mol
LogP3.03
Rot. Bonds2

About N-(2-chlorocyclohexyl)thiophene-2-carboxamide

N-(2-chlorocyclohexyl)thiophene-2-carboxamide (PubChem CID 114301056) has the molecular formula C11H14ClNOS and a molecular weight of 243.76 g/mol. Its IUPAC name is N-(2-chlorocyclohexyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-chlorocyclohexyl)thiophene-2-carboxamide
PubChem CID114301056
Molecular FormulaC11H14ClNOS
Molecular Weight243.76 g/mol
Exact Mass243.05
IUPAC NameN-(2-chlorocyclohexyl)thiophene-2-carboxamide
SMILESO=C(NC1CCCCC1Cl)c1cccs1
InChIInChI=1S/C11H14ClNOS/c12-8-4-1-2-5-9(8)13-11(14)10-6-3-7-15-10/h3,6-9H,1-2,4-5H2,(H,13,14)
InChIKeyBLWCDRDHMQWVCJ-UHFFFAOYSA-N
XLogP3.03
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.76
LogP ≤ 53.03
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-[2-(trifluoromethyl)cyclohexyl]thiophene-2-carboxamide
CID 60722498
N-(2,3-dimethylcyclohexyl)thiophene-2-carboxamide
CID 4072672
5-chloro-N-(2-chlorocyclohexyl)thiophene-2-carboxamide
CID 114301266
N-(2-methoxycyclopentyl)thiophene-2-carboxamide
CID 64592899
N-[(2-chlorocyclopentyl)methyl]thiophene-2-carboxamide
CID 114302998
N-(2-chlorocyclohexyl)-5-methylthiophene-2-carboxamide
CID 114301167
N-(2-chlorocyclohexyl)-5-iodothiophene-3-carboxamide
CID 114301116
N-[[(1R,2S)-2-methylcyclohexyl]carbamothioyl]thiophene-2-carboxamide
CID 2381843
N-[3-[[(1R,2R)-2-hydroxycyclohexyl]amino]-3-oxopropyl]thiophene-2-carboxamide
CID 104927828
N-(2-chlorocyclohexyl)-2,3-dihydroxybenzamide
CID 114345275
2-bromo-N-(2-chlorocyclohexyl)benzamide
CID 114301050
N-(2-chlorocyclohexyl)-2-fluoro-3-(trifluoromethyl)benzamide
CID 114301247

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorocyclohexyl)thiophene-2-carboxamide?
The IUPAC name of N-(2-chlorocyclohexyl)thiophene-2-carboxamide (CID 114301056) is N-(2-chlorocyclohexyl)thiophene-2-carboxamide.
What is the SMILES notation for N-(2-chlorocyclohexyl)thiophene-2-carboxamide?
The canonical SMILES for N-(2-chlorocyclohexyl)thiophene-2-carboxamide is O=C(NC1CCCCC1Cl)c1cccs1.
What is the InChIKey of N-(2-chlorocyclohexyl)thiophene-2-carboxamide?
The InChIKey is BLWCDRDHMQWVCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNOS/c12-8-4-1-2-5-9(8)13-11(14)10-6-3-7-15-10/h3,6-9H,1-2,4-5H2,(H,13,14).
What are the key properties of N-(2-chlorocyclohexyl)thiophene-2-carboxamide?
N-(2-chlorocyclohexyl)thiophene-2-carboxamide has a molecular weight of 243.76 g/mol, XLogP of 3.03, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorocyclohexyl)thiophene-2-carboxamide is sourced from PubChem (CID 114301056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).