N-(1-cyclopropylethyl)-2-(4-hydroxyphenyl)sulfanylacetamide

C13H17NO2S — CID 47477183

IUPACN-(1-cyclopropylethyl)-2-(4-hydroxyphenyl)sulfanylacetamide
SMILESCC(NC(=O)CSc1ccc(O)cc1)C1CC1
InChIInChI=1S/C13H17NO2S/c1-9(10-2-3-10)14-13(16)8-17-12-6-4-11(15)5-7-12/h4-7,9-10,15H,2-3,8H2,1H3,(H,14,16)
InChIKeyVAFNTPZJAFUONI-UHFFFAOYSA-N
MW251.35 g/mol
LogP2.40
Rot. Bonds5

About N-(1-cyclopropylethyl)-2-(4-hydroxyphenyl)sulfanylacetamide

N-(1-cyclopropylethyl)-2-(4-hydroxyphenyl)sulfanylacetamide (PubChem CID 47477183) has the molecular formula C13H17NO2S and a molecular weight of 251.35 g/mol. Its IUPAC name is N-(1-cyclopropylethyl)-2-(4-hydroxyphenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-(1-cyclopropylethyl)-2-(4-hydroxyphenyl)sulfanylacetamide
PubChem CID47477183
Molecular FormulaC13H17NO2S
Molecular Weight251.35 g/mol
Exact Mass251.10
IUPAC NameN-(1-cyclopropylethyl)-2-(4-hydroxyphenyl)sulfanylacetamide
SMILESCC(NC(=O)CSc1ccc(O)cc1)C1CC1
InChIInChI=1S/C13H17NO2S/c1-9(10-2-3-10)14-13(16)8-17-12-6-4-11(15)5-7-12/h4-7,9-10,15H,2-3,8H2,1H3,(H,14,16)
InChIKeyVAFNTPZJAFUONI-UHFFFAOYSA-N
XLogP2.40
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylethyl)-2-(4-hydroxyphenyl)sulfanylacetamide?
The IUPAC name of N-(1-cyclopropylethyl)-2-(4-hydroxyphenyl)sulfanylacetamide (CID 47477183) is N-(1-cyclopropylethyl)-2-(4-hydroxyphenyl)sulfanylacetamide.
What is the SMILES notation for N-(1-cyclopropylethyl)-2-(4-hydroxyphenyl)sulfanylacetamide?
The canonical SMILES for N-(1-cyclopropylethyl)-2-(4-hydroxyphenyl)sulfanylacetamide is CC(NC(=O)CSc1ccc(O)cc1)C1CC1.
What is the InChIKey of N-(1-cyclopropylethyl)-2-(4-hydroxyphenyl)sulfanylacetamide?
The InChIKey is VAFNTPZJAFUONI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2S/c1-9(10-2-3-10)14-13(16)8-17-12-6-4-11(15)5-7-12/h4-7,9-10,15H,2-3,8H2,1H3,(H,14,16).
What are the key properties of N-(1-cyclopropylethyl)-2-(4-hydroxyphenyl)sulfanylacetamide?
N-(1-cyclopropylethyl)-2-(4-hydroxyphenyl)sulfanylacetamide has a molecular weight of 251.35 g/mol, XLogP of 2.40, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylethyl)-2-(4-hydroxyphenyl)sulfanylacetamide is sourced from PubChem (CID 47477183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).