2-[3-(1-hydroxyethyl)phenyl]sulfanyl-N-propan-2-ylacetamide

C13H19NO2S — CID 64665108

IUPAC2-[3-(1-hydroxyethyl)phenyl]sulfanyl-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CSc1cccc(C(C)O)c1
InChIInChI=1S/C13H19NO2S/c1-9(2)14-13(16)8-17-12-6-4-5-11(7-12)10(3)15/h4-7,9-10,15H,8H2,1-3H3,(H,14,16)
InChIKeyDXNJOMBDFHFJIY-UHFFFAOYSA-N
MW253.37 g/mol
LogP2.36
Rot. Bonds5

About 2-[3-(1-hydroxyethyl)phenyl]sulfanyl-N-propan-2-ylacetamide

2-[3-(1-hydroxyethyl)phenyl]sulfanyl-N-propan-2-ylacetamide (PubChem CID 64665108) has the molecular formula C13H19NO2S and a molecular weight of 253.37 g/mol. Its IUPAC name is 2-[3-(1-hydroxyethyl)phenyl]sulfanyl-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[3-(1-hydroxyethyl)phenyl]sulfanyl-N-propan-2-ylacetamide
PubChem CID64665108
Molecular FormulaC13H19NO2S
Molecular Weight253.37 g/mol
Exact Mass253.11
IUPAC Name2-[3-(1-hydroxyethyl)phenyl]sulfanyl-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CSc1cccc(C(C)O)c1
InChIInChI=1S/C13H19NO2S/c1-9(2)14-13(16)8-17-12-6-4-5-11(7-12)10(3)15/h4-7,9-10,15H,8H2,1-3H3,(H,14,16)
InChIKeyDXNJOMBDFHFJIY-UHFFFAOYSA-N
XLogP2.36
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-2-[3-(1-hydroxyethyl)phenyl]sulfanylacetamide
CID 64665950
2-[3-(1-hydroxyethyl)phenyl]sulfanylacetamide
CID 64665949
N,N-diethyl-2-[3-(1-hydroxyethyl)phenyl]sulfanylacetamide
CID 64665943
N-(3-fluorophenyl)-2-[3-(1-hydroxyethyl)phenyl]sulfanylacetamide
CID 64666802
2-[3-[1-(methylamino)ethyl]phenyl]sulfanyl-N-pentan-3-ylacetamide
CID 64660929
2-[3-(1-aminoethyl)phenyl]sulfanyl-N-methylacetamide
CID 64662744
N-(propan-2-ylcarbamoyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide
CID 2591950
1-[3-(2-methylidenebutylsulfanyl)phenyl]ethanol
CID 66038314
2-(3-chlorophenyl)sulfanyl-N-(1-phenylethyl)acetamide
CID 2951148
2-[3-(1-hydroxyethyl)phenyl]sulfanyl-1-(4-methylpiperazin-1-yl)ethanone
CID 64664246
N-[(1R)-1-phenylethyl]-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide
CID 2575823
N-(1-phenylethyl)-2-phenylsulfanylacetamide
CID 2889950

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1-hydroxyethyl)phenyl]sulfanyl-N-propan-2-ylacetamide?
The IUPAC name of 2-[3-(1-hydroxyethyl)phenyl]sulfanyl-N-propan-2-ylacetamide (CID 64665108) is 2-[3-(1-hydroxyethyl)phenyl]sulfanyl-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[3-(1-hydroxyethyl)phenyl]sulfanyl-N-propan-2-ylacetamide?
The canonical SMILES for 2-[3-(1-hydroxyethyl)phenyl]sulfanyl-N-propan-2-ylacetamide is CC(C)NC(=O)CSc1cccc(C(C)O)c1.
What is the InChIKey of 2-[3-(1-hydroxyethyl)phenyl]sulfanyl-N-propan-2-ylacetamide?
The InChIKey is DXNJOMBDFHFJIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2S/c1-9(2)14-13(16)8-17-12-6-4-5-11(7-12)10(3)15/h4-7,9-10,15H,8H2,1-3H3,(H,14,16).
What are the key properties of 2-[3-(1-hydroxyethyl)phenyl]sulfanyl-N-propan-2-ylacetamide?
2-[3-(1-hydroxyethyl)phenyl]sulfanyl-N-propan-2-ylacetamide has a molecular weight of 253.37 g/mol, XLogP of 2.36, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1-hydroxyethyl)phenyl]sulfanyl-N-propan-2-ylacetamide is sourced from PubChem (CID 64665108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).