N-(oxolan-2-ylmethyl)-2-phenyl-2-phenylsulfanylacetamide

C19H21NO2S — CID 2886245

IUPACN-(oxolan-2-ylmethyl)-2-phenyl-2-phenylsulfanylacetamide
SMILESO=C(NCC1CCCO1)C(Sc1ccccc1)c1ccccc1
InChIInChI=1S/C19H21NO2S/c21-19(20-14-16-10-7-13-22-16)18(15-8-3-1-4-9-15)23-17-11-5-2-6-12-17/h1-6,8-9,11-12,16,18H,7,10,13-14H2,(H,20,21)
InChIKeyOLDLFKGUYGCCDZ-UHFFFAOYSA-N
MW327.45 g/mol
LogP3.82
Rot. Bonds6

About N-(oxolan-2-ylmethyl)-2-phenyl-2-phenylsulfanylacetamide

N-(oxolan-2-ylmethyl)-2-phenyl-2-phenylsulfanylacetamide (PubChem CID 2886245) has the molecular formula C19H21NO2S and a molecular weight of 327.45 g/mol. Its IUPAC name is N-(oxolan-2-ylmethyl)-2-phenyl-2-phenylsulfanylacetamide.

Molecular Properties

Compound NameN-(oxolan-2-ylmethyl)-2-phenyl-2-phenylsulfanylacetamide
PubChem CID2886245
Molecular FormulaC19H21NO2S
Molecular Weight327.45 g/mol
Exact Mass327.13
IUPAC NameN-(oxolan-2-ylmethyl)-2-phenyl-2-phenylsulfanylacetamide
SMILESO=C(NCC1CCCO1)C(Sc1ccccc1)c1ccccc1
InChIInChI=1S/C19H21NO2S/c21-19(20-14-16-10-7-13-22-16)18(15-8-3-1-4-9-15)23-17-11-5-2-6-12-17/h1-6,8-9,11-12,16,18H,7,10,13-14H2,(H,20,21)
InChIKeyOLDLFKGUYGCCDZ-UHFFFAOYSA-N
XLogP3.82
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.45
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(oxolan-2-ylmethyl)-2-phenyl-2-phenylsulfanylacetamide?
The IUPAC name of N-(oxolan-2-ylmethyl)-2-phenyl-2-phenylsulfanylacetamide (CID 2886245) is N-(oxolan-2-ylmethyl)-2-phenyl-2-phenylsulfanylacetamide.
What is the SMILES notation for N-(oxolan-2-ylmethyl)-2-phenyl-2-phenylsulfanylacetamide?
The canonical SMILES for N-(oxolan-2-ylmethyl)-2-phenyl-2-phenylsulfanylacetamide is O=C(NCC1CCCO1)C(Sc1ccccc1)c1ccccc1.
What is the InChIKey of N-(oxolan-2-ylmethyl)-2-phenyl-2-phenylsulfanylacetamide?
The InChIKey is OLDLFKGUYGCCDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO2S/c21-19(20-14-16-10-7-13-22-16)18(15-8-3-1-4-9-15)23-17-11-5-2-6-12-17/h1-6,8-9,11-12,16,18H,7,10,13-14H2,(H,20,21).
What are the key properties of N-(oxolan-2-ylmethyl)-2-phenyl-2-phenylsulfanylacetamide?
N-(oxolan-2-ylmethyl)-2-phenyl-2-phenylsulfanylacetamide has a molecular weight of 327.45 g/mol, XLogP of 3.82, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-2-ylmethyl)-2-phenyl-2-phenylsulfanylacetamide is sourced from PubChem (CID 2886245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).