N-(2-phenylethyl)-2-phenylsulfanylacetamide

C16H17NOS — CID 846686

IUPACN-(2-phenylethyl)-2-phenylsulfanylacetamide
SMILESO=C(CSc1ccccc1)NCCc1ccccc1
InChIInChI=1S/C16H17NOS/c18-16(13-19-15-9-5-2-6-10-15)17-12-11-14-7-3-1-4-8-14/h1-10H,11-13H2,(H,17,18)
InChIKeyPDBFTFQYGKWVRB-UHFFFAOYSA-N
MW271.38 g/mol
LogP3.14
Rot. Bonds6

About N-(2-phenylethyl)-2-phenylsulfanylacetamide

N-(2-phenylethyl)-2-phenylsulfanylacetamide (PubChem CID 846686) has the molecular formula C16H17NOS and a molecular weight of 271.38 g/mol. Its IUPAC name is N-(2-phenylethyl)-2-phenylsulfanylacetamide.

Molecular Properties

Compound NameN-(2-phenylethyl)-2-phenylsulfanylacetamide
PubChem CID846686
Molecular FormulaC16H17NOS
Molecular Weight271.38 g/mol
Exact Mass271.10
IUPAC NameN-(2-phenylethyl)-2-phenylsulfanylacetamide
SMILESO=C(CSc1ccccc1)NCCc1ccccc1
InChIInChI=1S/C16H17NOS/c18-16(13-19-15-9-5-2-6-10-15)17-12-11-14-7-3-1-4-8-14/h1-10H,11-13H2,(H,17,18)
InChIKeyPDBFTFQYGKWVRB-UHFFFAOYSA-N
XLogP3.14
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.38
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-phenylethyl)-2-phenylsulfanylacetamide?
The IUPAC name of N-(2-phenylethyl)-2-phenylsulfanylacetamide (CID 846686) is N-(2-phenylethyl)-2-phenylsulfanylacetamide.
What is the SMILES notation for N-(2-phenylethyl)-2-phenylsulfanylacetamide?
The canonical SMILES for N-(2-phenylethyl)-2-phenylsulfanylacetamide is O=C(CSc1ccccc1)NCCc1ccccc1.
What is the InChIKey of N-(2-phenylethyl)-2-phenylsulfanylacetamide?
The InChIKey is PDBFTFQYGKWVRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NOS/c18-16(13-19-15-9-5-2-6-10-15)17-12-11-14-7-3-1-4-8-14/h1-10H,11-13H2,(H,17,18).
What are the key properties of N-(2-phenylethyl)-2-phenylsulfanylacetamide?
N-(2-phenylethyl)-2-phenylsulfanylacetamide has a molecular weight of 271.38 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylethyl)-2-phenylsulfanylacetamide is sourced from PubChem (CID 846686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).