N-(cyclohexylmethyl)-2-(furan-2-ylmethylsulfanyl)acetamide

C14H21NO2S — CID 112780967

IUPACN-(cyclohexylmethyl)-2-(furan-2-ylmethylsulfanyl)acetamide
SMILESO=C(CSCc1ccco1)NCC1CCCCC1
InChIInChI=1S/C14H21NO2S/c16-14(11-18-10-13-7-4-8-17-13)15-9-12-5-2-1-3-6-12/h4,7-8,12H,1-3,5-6,9-11H2,(H,15,16)
InChIKeyMQOHMLCRYHGYLB-UHFFFAOYSA-N
MW267.39 g/mol
LogP3.21
Rot. Bonds6

About N-(cyclohexylmethyl)-2-(furan-2-ylmethylsulfanyl)acetamide

N-(cyclohexylmethyl)-2-(furan-2-ylmethylsulfanyl)acetamide (PubChem CID 112780967) has the molecular formula C14H21NO2S and a molecular weight of 267.39 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-2-(furan-2-ylmethylsulfanyl)acetamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-2-(furan-2-ylmethylsulfanyl)acetamide
PubChem CID112780967
Molecular FormulaC14H21NO2S
Molecular Weight267.39 g/mol
Exact Mass267.13
IUPAC NameN-(cyclohexylmethyl)-2-(furan-2-ylmethylsulfanyl)acetamide
SMILESO=C(CSCc1ccco1)NCC1CCCCC1
InChIInChI=1S/C14H21NO2S/c16-14(11-18-10-13-7-4-8-17-13)15-9-12-5-2-1-3-6-12/h4,7-8,12H,1-3,5-6,9-11H2,(H,15,16)
InChIKeyMQOHMLCRYHGYLB-UHFFFAOYSA-N
XLogP3.21
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
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

Analyze N-(cyclohexylmethyl)-2-(furan-2-ylmethylsulfanyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(cyclopentylmethyl)-3-(furan-2-ylmethyl)urea
CID 47172133
N-(cyanomethyl)-2-(furan-2-ylmethylsulfanyl)acetamide
CID 56794182
2-(furan-2-ylmethylsulfanyl)-N-(4-methylcyclohexyl)acetamide
CID 112780850
N-(cyclohexylmethyl)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 4782802
methyl N-[2-(furan-2-ylmethylsulfanyl)acetyl]carbamate
CID 67704889
(2R)-N-(cyclopentylmethyl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-2-carboxamide
CID 95738938
2-(azetidin-3-ylmethylsulfanyl)-N-(furan-2-ylmethyl)acetamide
CID 66288226
2-(furan-2-ylmethylsulfanyl)-N-(3-methylbutan-2-yl)acetamide
CID 112780782
N-[[(3S)-1-(furan-2-ylmethyl)piperidin-3-yl]methyl]-2-pyrrolidin-1-ylacetamide
CID 95200289
benzyl N-[3-cyclohexyl-1-[[4-(furan-2-ylmethylsulfanyl)-3-oxo-1-phenylbutan-2-yl]amino]-1-oxopropan-2-yl]carbamate
CID 18941184
N-(4-bromophenyl)-2-(furan-2-ylmethylsulfanyl)acetamide
CID 4279150
1-[(2R)-2-ethylpiperidin-1-yl]-2-(furan-2-ylmethylsulfanyl)ethanone
CID 2374328

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-2-(furan-2-ylmethylsulfanyl)acetamide?
The IUPAC name of N-(cyclohexylmethyl)-2-(furan-2-ylmethylsulfanyl)acetamide (CID 112780967) is N-(cyclohexylmethyl)-2-(furan-2-ylmethylsulfanyl)acetamide.
What is the SMILES notation for N-(cyclohexylmethyl)-2-(furan-2-ylmethylsulfanyl)acetamide?
The canonical SMILES for N-(cyclohexylmethyl)-2-(furan-2-ylmethylsulfanyl)acetamide is O=C(CSCc1ccco1)NCC1CCCCC1.
What is the InChIKey of N-(cyclohexylmethyl)-2-(furan-2-ylmethylsulfanyl)acetamide?
The InChIKey is MQOHMLCRYHGYLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2S/c16-14(11-18-10-13-7-4-8-17-13)15-9-12-5-2-1-3-6-12/h4,7-8,12H,1-3,5-6,9-11H2,(H,15,16).
What are the key properties of N-(cyclohexylmethyl)-2-(furan-2-ylmethylsulfanyl)acetamide?
N-(cyclohexylmethyl)-2-(furan-2-ylmethylsulfanyl)acetamide has a molecular weight of 267.39 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-2-(furan-2-ylmethylsulfanyl)acetamide is sourced from PubChem (CID 112780967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).