N-cyclohexyl-2-(4-hydroxyphenyl)sulfanyl-N-propan-2-ylacetamide

C17H25NO2S — CID 61031721

IUPACN-cyclohexyl-2-(4-hydroxyphenyl)sulfanyl-N-propan-2-ylacetamide
SMILESCC(C)N(C(=O)CSc1ccc(O)cc1)C1CCCCC1
InChIInChI=1S/C17H25NO2S/c1-13(2)18(14-6-4-3-5-7-14)17(20)12-21-16-10-8-15(19)9-11-16/h8-11,13-14,19H,3-7,12H2,1-2H3
InChIKeyWJNQUFUCVCKIFL-UHFFFAOYSA-N
MW307.46 g/mol
LogP4.05
Rot. Bonds5

About N-cyclohexyl-2-(4-hydroxyphenyl)sulfanyl-N-propan-2-ylacetamide

N-cyclohexyl-2-(4-hydroxyphenyl)sulfanyl-N-propan-2-ylacetamide (PubChem CID 61031721) has the molecular formula C17H25NO2S and a molecular weight of 307.46 g/mol. Its IUPAC name is N-cyclohexyl-2-(4-hydroxyphenyl)sulfanyl-N-propan-2-ylacetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-(4-hydroxyphenyl)sulfanyl-N-propan-2-ylacetamide
PubChem CID61031721
Molecular FormulaC17H25NO2S
Molecular Weight307.46 g/mol
Exact Mass307.16
IUPAC NameN-cyclohexyl-2-(4-hydroxyphenyl)sulfanyl-N-propan-2-ylacetamide
SMILESCC(C)N(C(=O)CSc1ccc(O)cc1)C1CCCCC1
InChIInChI=1S/C17H25NO2S/c1-13(2)18(14-6-4-3-5-7-14)17(20)12-21-16-10-8-15(19)9-11-16/h8-11,13-14,19H,3-7,12H2,1-2H3
InChIKeyWJNQUFUCVCKIFL-UHFFFAOYSA-N
XLogP4.05
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.46
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-(4-hydroxyphenyl)sulfanyl-N-propan-2-ylacetamide?
The IUPAC name of N-cyclohexyl-2-(4-hydroxyphenyl)sulfanyl-N-propan-2-ylacetamide (CID 61031721) is N-cyclohexyl-2-(4-hydroxyphenyl)sulfanyl-N-propan-2-ylacetamide.
What is the SMILES notation for N-cyclohexyl-2-(4-hydroxyphenyl)sulfanyl-N-propan-2-ylacetamide?
The canonical SMILES for N-cyclohexyl-2-(4-hydroxyphenyl)sulfanyl-N-propan-2-ylacetamide is CC(C)N(C(=O)CSc1ccc(O)cc1)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-2-(4-hydroxyphenyl)sulfanyl-N-propan-2-ylacetamide?
The InChIKey is WJNQUFUCVCKIFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2S/c1-13(2)18(14-6-4-3-5-7-14)17(20)12-21-16-10-8-15(19)9-11-16/h8-11,13-14,19H,3-7,12H2,1-2H3.
What are the key properties of N-cyclohexyl-2-(4-hydroxyphenyl)sulfanyl-N-propan-2-ylacetamide?
N-cyclohexyl-2-(4-hydroxyphenyl)sulfanyl-N-propan-2-ylacetamide has a molecular weight of 307.46 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-(4-hydroxyphenyl)sulfanyl-N-propan-2-ylacetamide is sourced from PubChem (CID 61031721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).