N-(4-hydroxycyclohexyl)-2-(2-methylphenyl)sulfanylacetamide

C15H21NO2S — CID 43389266

IUPACN-(4-hydroxycyclohexyl)-2-(2-methylphenyl)sulfanylacetamide
SMILESCc1ccccc1SCC(=O)NC1CCC(O)CC1
InChIInChI=1S/C15H21NO2S/c1-11-4-2-3-5-14(11)19-10-15(18)16-12-6-8-13(17)9-7-12/h2-5,12-13,17H,6-10H2,1H3,(H,16,18)
InChIKeyZRYFZKKMPTXXQP-UHFFFAOYSA-N
MW279.40 g/mol
LogP2.51
Rot. Bonds4

About N-(4-hydroxycyclohexyl)-2-(2-methylphenyl)sulfanylacetamide

N-(4-hydroxycyclohexyl)-2-(2-methylphenyl)sulfanylacetamide (PubChem CID 43389266) has the molecular formula C15H21NO2S and a molecular weight of 279.40 g/mol. Its IUPAC name is N-(4-hydroxycyclohexyl)-2-(2-methylphenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-(4-hydroxycyclohexyl)-2-(2-methylphenyl)sulfanylacetamide
PubChem CID43389266
Molecular FormulaC15H21NO2S
Molecular Weight279.40 g/mol
Exact Mass279.13
IUPAC NameN-(4-hydroxycyclohexyl)-2-(2-methylphenyl)sulfanylacetamide
SMILESCc1ccccc1SCC(=O)NC1CCC(O)CC1
InChIInChI=1S/C15H21NO2S/c1-11-4-2-3-5-14(11)19-10-15(18)16-12-6-8-13(17)9-7-12/h2-5,12-13,17H,6-10H2,1H3,(H,16,18)
InChIKeyZRYFZKKMPTXXQP-UHFFFAOYSA-N
XLogP2.51
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.40
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxycyclohexyl)-2-(2-methylphenyl)sulfanylacetamide?
The IUPAC name of N-(4-hydroxycyclohexyl)-2-(2-methylphenyl)sulfanylacetamide (CID 43389266) is N-(4-hydroxycyclohexyl)-2-(2-methylphenyl)sulfanylacetamide.
What is the SMILES notation for N-(4-hydroxycyclohexyl)-2-(2-methylphenyl)sulfanylacetamide?
The canonical SMILES for N-(4-hydroxycyclohexyl)-2-(2-methylphenyl)sulfanylacetamide is Cc1ccccc1SCC(=O)NC1CCC(O)CC1.
What is the InChIKey of N-(4-hydroxycyclohexyl)-2-(2-methylphenyl)sulfanylacetamide?
The InChIKey is ZRYFZKKMPTXXQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2S/c1-11-4-2-3-5-14(11)19-10-15(18)16-12-6-8-13(17)9-7-12/h2-5,12-13,17H,6-10H2,1H3,(H,16,18).
What are the key properties of N-(4-hydroxycyclohexyl)-2-(2-methylphenyl)sulfanylacetamide?
N-(4-hydroxycyclohexyl)-2-(2-methylphenyl)sulfanylacetamide has a molecular weight of 279.40 g/mol, XLogP of 2.51, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxycyclohexyl)-2-(2-methylphenyl)sulfanylacetamide is sourced from PubChem (CID 43389266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).