N-(3-hydroxy-3-phenylpropyl)-2-phenylsulfanylacetamide

C17H19NO2S — CID 111471528

IUPACN-(3-hydroxy-3-phenylpropyl)-2-phenylsulfanylacetamide
SMILESO=C(CSc1ccccc1)NCCC(O)c1ccccc1
InChIInChI=1S/C17H19NO2S/c19-16(14-7-3-1-4-8-14)11-12-18-17(20)13-21-15-9-5-2-6-10-15/h1-10,16,19H,11-13H2,(H,18,20)
InChIKeyRITZGEFXEDBFAA-UHFFFAOYSA-N
MW301.41 g/mol
LogP3.02
Rot. Bonds7

About N-(3-hydroxy-3-phenylpropyl)-2-phenylsulfanylacetamide

N-(3-hydroxy-3-phenylpropyl)-2-phenylsulfanylacetamide (PubChem CID 111471528) has the molecular formula C17H19NO2S and a molecular weight of 301.41 g/mol. Its IUPAC name is N-(3-hydroxy-3-phenylpropyl)-2-phenylsulfanylacetamide.

Molecular Properties

Compound NameN-(3-hydroxy-3-phenylpropyl)-2-phenylsulfanylacetamide
PubChem CID111471528
Molecular FormulaC17H19NO2S
Molecular Weight301.41 g/mol
Exact Mass301.11
IUPAC NameN-(3-hydroxy-3-phenylpropyl)-2-phenylsulfanylacetamide
SMILESO=C(CSc1ccccc1)NCCC(O)c1ccccc1
InChIInChI=1S/C17H19NO2S/c19-16(14-7-3-1-4-8-14)11-12-18-17(20)13-21-15-9-5-2-6-10-15/h1-10,16,19H,11-13H2,(H,18,20)
InChIKeyRITZGEFXEDBFAA-UHFFFAOYSA-N
XLogP3.02
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-aminobutyl)-2-phenylsulfanylacetamide
CID 63253683
7-[(2-phenylsulfanylacetyl)amino]heptanoic acid
CID 43240079
N-ethyl-N'-(3-hydroxy-3-phenylpropyl)butanediamide
CID 111472033
N-(3-hydroxy-3-phenylpropyl)butanamide;propane
CID 143470750
N-(3-hydroxy-3-phenylpropyl)acetamide
CID 67579721
N-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]-2-phenylsulfanylacetamide
CID 124506824
N-(3-bromopropyl)-2-phenylsulfanylacetamide
CID 69178614
N-[(2S)-2-hydroxypropyl]-2-phenylsulfanylacetamide
CID 83029625
N-[2-[4-[amino(hydroxy)methyl]phenyl]ethyl]-2-phenylsulfanylacetamide
CID 90126046
N-(3-phenylpropyl)-2-phenylsulfanylacetamide
CID 2098867
2-ethoxy-N-(3-hydroxy-3-phenylpropyl)acetamide
CID 111472051
2-(diethylamino)-N-(3-hydroxy-3-phenylpropyl)acetamide
CID 111661950

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-3-phenylpropyl)-2-phenylsulfanylacetamide?
The IUPAC name of N-(3-hydroxy-3-phenylpropyl)-2-phenylsulfanylacetamide (CID 111471528) is N-(3-hydroxy-3-phenylpropyl)-2-phenylsulfanylacetamide.
What is the SMILES notation for N-(3-hydroxy-3-phenylpropyl)-2-phenylsulfanylacetamide?
The canonical SMILES for N-(3-hydroxy-3-phenylpropyl)-2-phenylsulfanylacetamide is O=C(CSc1ccccc1)NCCC(O)c1ccccc1.
What is the InChIKey of N-(3-hydroxy-3-phenylpropyl)-2-phenylsulfanylacetamide?
The InChIKey is RITZGEFXEDBFAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2S/c19-16(14-7-3-1-4-8-14)11-12-18-17(20)13-21-15-9-5-2-6-10-15/h1-10,16,19H,11-13H2,(H,18,20).
What are the key properties of N-(3-hydroxy-3-phenylpropyl)-2-phenylsulfanylacetamide?
N-(3-hydroxy-3-phenylpropyl)-2-phenylsulfanylacetamide has a molecular weight of 301.41 g/mol, XLogP of 3.02, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-3-phenylpropyl)-2-phenylsulfanylacetamide is sourced from PubChem (CID 111471528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).