N-(cyclohexen-1-yl)-N-(furan-2-ylmethyl)-2-(2-methylphenyl)sulfanylacetamide

C20H23NO2S — CID 60561758

IUPACN-(cyclohexen-1-yl)-N-(furan-2-ylmethyl)-2-(2-methylphenyl)sulfanylacetamide
SMILESCc1ccccc1SCC(=O)N(Cc1ccco1)C1=CCCCC1
InChIInChI=1S/C20H23NO2S/c1-16-8-5-6-12-19(16)24-15-20(22)21(14-18-11-7-13-23-18)17-9-3-2-4-10-17/h5-9,11-13H,2-4,10,14-15H2,1H3
InChIKeyKCCZSJKDIGTUGE-UHFFFAOYSA-N
MW341.48 g/mol
LogP5.17
Rot. Bonds6

About N-(cyclohexen-1-yl)-N-(furan-2-ylmethyl)-2-(2-methylphenyl)sulfanylacetamide

N-(cyclohexen-1-yl)-N-(furan-2-ylmethyl)-2-(2-methylphenyl)sulfanylacetamide (PubChem CID 60561758) has the molecular formula C20H23NO2S and a molecular weight of 341.48 g/mol. Its IUPAC name is N-(cyclohexen-1-yl)-N-(furan-2-ylmethyl)-2-(2-methylphenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-(cyclohexen-1-yl)-N-(furan-2-ylmethyl)-2-(2-methylphenyl)sulfanylacetamide
PubChem CID60561758
Molecular FormulaC20H23NO2S
Molecular Weight341.48 g/mol
Exact Mass341.14
IUPAC NameN-(cyclohexen-1-yl)-N-(furan-2-ylmethyl)-2-(2-methylphenyl)sulfanylacetamide
SMILESCc1ccccc1SCC(=O)N(Cc1ccco1)C1=CCCCC1
InChIInChI=1S/C20H23NO2S/c1-16-8-5-6-12-19(16)24-15-20(22)21(14-18-11-7-13-23-18)17-9-3-2-4-10-17/h5-9,11-13H,2-4,10,14-15H2,1H3
InChIKeyKCCZSJKDIGTUGE-UHFFFAOYSA-N
XLogP5.17
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.48
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(cyclohexen-1-yl)-N-(furan-2-ylmethyl)-2-(2-methylphenyl)sulfanylacetamide?
The IUPAC name of N-(cyclohexen-1-yl)-N-(furan-2-ylmethyl)-2-(2-methylphenyl)sulfanylacetamide (CID 60561758) is N-(cyclohexen-1-yl)-N-(furan-2-ylmethyl)-2-(2-methylphenyl)sulfanylacetamide.
What is the SMILES notation for N-(cyclohexen-1-yl)-N-(furan-2-ylmethyl)-2-(2-methylphenyl)sulfanylacetamide?
The canonical SMILES for N-(cyclohexen-1-yl)-N-(furan-2-ylmethyl)-2-(2-methylphenyl)sulfanylacetamide is Cc1ccccc1SCC(=O)N(Cc1ccco1)C1=CCCCC1.
What is the InChIKey of N-(cyclohexen-1-yl)-N-(furan-2-ylmethyl)-2-(2-methylphenyl)sulfanylacetamide?
The InChIKey is KCCZSJKDIGTUGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO2S/c1-16-8-5-6-12-19(16)24-15-20(22)21(14-18-11-7-13-23-18)17-9-3-2-4-10-17/h5-9,11-13H,2-4,10,14-15H2,1H3.
What are the key properties of N-(cyclohexen-1-yl)-N-(furan-2-ylmethyl)-2-(2-methylphenyl)sulfanylacetamide?
N-(cyclohexen-1-yl)-N-(furan-2-ylmethyl)-2-(2-methylphenyl)sulfanylacetamide has a molecular weight of 341.48 g/mol, XLogP of 5.17, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexen-1-yl)-N-(furan-2-ylmethyl)-2-(2-methylphenyl)sulfanylacetamide is sourced from PubChem (CID 60561758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).