2-(furan-2-ylmethylsulfanyl)-N-(4-methylcyclohexyl)acetamide

C14H21NO2S — CID 112780850

IUPAC2-(furan-2-ylmethylsulfanyl)-N-(4-methylcyclohexyl)acetamide
SMILESCC1CCC(NC(=O)CSCc2ccco2)CC1
InChIInChI=1S/C14H21NO2S/c1-11-4-6-12(7-5-11)15-14(16)10-18-9-13-3-2-8-17-13/h2-3,8,11-12H,4-7,9-10H2,1H3,(H,15,16)
InChIKeyNSSFIZQNUQBYCI-UHFFFAOYSA-N
MW267.39 g/mol
LogP3.21
Rot. Bonds5

About 2-(furan-2-ylmethylsulfanyl)-N-(4-methylcyclohexyl)acetamide

2-(furan-2-ylmethylsulfanyl)-N-(4-methylcyclohexyl)acetamide (PubChem CID 112780850) has the molecular formula C14H21NO2S and a molecular weight of 267.39 g/mol. Its IUPAC name is 2-(furan-2-ylmethylsulfanyl)-N-(4-methylcyclohexyl)acetamide.

Molecular Properties

Compound Name2-(furan-2-ylmethylsulfanyl)-N-(4-methylcyclohexyl)acetamide
PubChem CID112780850
Molecular FormulaC14H21NO2S
Molecular Weight267.39 g/mol
Exact Mass267.13
IUPAC Name2-(furan-2-ylmethylsulfanyl)-N-(4-methylcyclohexyl)acetamide
SMILESCC1CCC(NC(=O)CSCc2ccco2)CC1
InChIInChI=1S/C14H21NO2S/c1-11-4-6-12(7-5-11)15-14(16)10-18-9-13-3-2-8-17-13/h2-3,8,11-12H,4-7,9-10H2,1H3,(H,15,16)
InChIKeyNSSFIZQNUQBYCI-UHFFFAOYSA-N
XLogP3.21
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-fluorophenyl)methylsulfanyl]-N-(4-methylcyclohexyl)acetamide
CID 134017008
N-(4-methylcyclohexyl)-2-[(4-methylphenyl)methylsulfanyl]acetamide
CID 47005023
2-(2-aminophenyl)sulfanyl-N-(4-methylcyclohexyl)acetamide
CID 43249136
N-(cyclohexylmethyl)-2-(furan-2-ylmethylsulfanyl)acetamide
CID 112780967
methyl N-[2-(furan-2-ylmethylsulfanyl)acetyl]carbamate
CID 67704889
N-(cyanomethyl)-2-(furan-2-ylmethylsulfanyl)acetamide
CID 56794182
2-(furan-2-ylmethylsulfanyl)-N-(3-methylbutan-2-yl)acetamide
CID 112780782
N-cyclopentyl-2-(furan-2-yl)acetamide
CID 110690587
N-[3-[(4-methylcyclohexyl)amino]-3-oxopropyl]furan-2-carboxamide
CID 24633715
N-cyclopentyl-2-(furan-2-ylmethylamino)acetamide
CID 28586516
N-cyclopentyl-2-[[4-(furan-2-ylmethyl)-5-(4-methylpiperidin-1-yl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 46688562
2-(furan-2-yl)-N-piperidin-4-ylacetamide
CID 110484596

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-ylmethylsulfanyl)-N-(4-methylcyclohexyl)acetamide?
The IUPAC name of 2-(furan-2-ylmethylsulfanyl)-N-(4-methylcyclohexyl)acetamide (CID 112780850) is 2-(furan-2-ylmethylsulfanyl)-N-(4-methylcyclohexyl)acetamide.
What is the SMILES notation for 2-(furan-2-ylmethylsulfanyl)-N-(4-methylcyclohexyl)acetamide?
The canonical SMILES for 2-(furan-2-ylmethylsulfanyl)-N-(4-methylcyclohexyl)acetamide is CC1CCC(NC(=O)CSCc2ccco2)CC1.
What is the InChIKey of 2-(furan-2-ylmethylsulfanyl)-N-(4-methylcyclohexyl)acetamide?
The InChIKey is NSSFIZQNUQBYCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2S/c1-11-4-6-12(7-5-11)15-14(16)10-18-9-13-3-2-8-17-13/h2-3,8,11-12H,4-7,9-10H2,1H3,(H,15,16).
What are the key properties of 2-(furan-2-ylmethylsulfanyl)-N-(4-methylcyclohexyl)acetamide?
2-(furan-2-ylmethylsulfanyl)-N-(4-methylcyclohexyl)acetamide has a molecular weight of 267.39 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-ylmethylsulfanyl)-N-(4-methylcyclohexyl)acetamide is sourced from PubChem (CID 112780850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).