2-chloro-N-(2-methylsulfanylcyclohexyl)furan-3-carboxamide

C12H16ClNO2S — CID 106812109

IUPAC2-chloro-N-(2-methylsulfanylcyclohexyl)furan-3-carboxamide
SMILESCSC1CCCCC1NC(=O)c1ccoc1Cl
InChIInChI=1S/C12H16ClNO2S/c1-17-10-5-3-2-4-9(10)14-12(15)8-6-7-16-11(8)13/h6-7,9-10H,2-5H2,1H3,(H,14,15)
InChIKeyOUNZLHVKYXDFPZ-UHFFFAOYSA-N
MW273.78 g/mol
LogP3.34
Rot. Bonds3

About 2-chloro-N-(2-methylsulfanylcyclohexyl)furan-3-carboxamide

2-chloro-N-(2-methylsulfanylcyclohexyl)furan-3-carboxamide (PubChem CID 106812109) has the molecular formula C12H16ClNO2S and a molecular weight of 273.78 g/mol. Its IUPAC name is 2-chloro-N-(2-methylsulfanylcyclohexyl)furan-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N-(2-methylsulfanylcyclohexyl)furan-3-carboxamide
PubChem CID106812109
Molecular FormulaC12H16ClNO2S
Molecular Weight273.78 g/mol
Exact Mass273.06
IUPAC Name2-chloro-N-(2-methylsulfanylcyclohexyl)furan-3-carboxamide
SMILESCSC1CCCCC1NC(=O)c1ccoc1Cl
InChIInChI=1S/C12H16ClNO2S/c1-17-10-5-3-2-4-9(10)14-12(15)8-6-7-16-11(8)13/h6-7,9-10H,2-5H2,1H3,(H,14,15)
InChIKeyOUNZLHVKYXDFPZ-UHFFFAOYSA-N
XLogP3.34
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.78
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-(2-methylcyclohexyl)furan-3-carboxamide
CID 106685279
2-chloro-N-(2-hydroxycycloheptyl)furan-3-carboxamide
CID 106687172
2-chloro-N-(2-methyloxolan-3-yl)furan-3-carboxamide
CID 106687114
2-chloro-N-(2,4-dimethylcyclohexyl)furan-3-carboxamide
CID 106686861
N-(2-methylsulfanylcyclohexyl)-4-sulfanylbenzamide
CID 114124428
2-chloro-N-(4-methylcyclohexyl)furan-3-carboxamide
CID 106685258
4-fluoro-2-hydroxy-N-(2-methylsulfanylcyclohexyl)benzamide
CID 103888808
2-bromo-3-methyl-N-(2-methylsulfanylcyclopentyl)benzamide
CID 103855203
3,5-dihydroxy-N-(2-methylsulfanylcyclohexyl)benzamide
CID 104939046
N-[(1R,2R)-2-hydroxycyclohexyl]-2-methylfuran-3-carboxamide
CID 104927715
2-chloro-N-[1-(cyclopropylamino)-1-oxopropan-2-yl]furan-3-carboxamide
CID 106687186
2-chloro-N-(oxan-3-yl)furan-3-carboxamide
CID 130173637

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-methylsulfanylcyclohexyl)furan-3-carboxamide?
The IUPAC name of 2-chloro-N-(2-methylsulfanylcyclohexyl)furan-3-carboxamide (CID 106812109) is 2-chloro-N-(2-methylsulfanylcyclohexyl)furan-3-carboxamide.
What is the SMILES notation for 2-chloro-N-(2-methylsulfanylcyclohexyl)furan-3-carboxamide?
The canonical SMILES for 2-chloro-N-(2-methylsulfanylcyclohexyl)furan-3-carboxamide is CSC1CCCCC1NC(=O)c1ccoc1Cl.
What is the InChIKey of 2-chloro-N-(2-methylsulfanylcyclohexyl)furan-3-carboxamide?
The InChIKey is OUNZLHVKYXDFPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO2S/c1-17-10-5-3-2-4-9(10)14-12(15)8-6-7-16-11(8)13/h6-7,9-10H,2-5H2,1H3,(H,14,15).
What are the key properties of 2-chloro-N-(2-methylsulfanylcyclohexyl)furan-3-carboxamide?
2-chloro-N-(2-methylsulfanylcyclohexyl)furan-3-carboxamide has a molecular weight of 273.78 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-methylsulfanylcyclohexyl)furan-3-carboxamide is sourced from PubChem (CID 106812109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).