N-(2-phenylethyl)-2-phenylsulfanylpropanamide

C17H19NOS — CID 2889783

IUPACN-(2-phenylethyl)-2-phenylsulfanylpropanamide
SMILESCC(Sc1ccccc1)C(=O)NCCc1ccccc1
InChIInChI=1S/C17H19NOS/c1-14(20-16-10-6-3-7-11-16)17(19)18-13-12-15-8-4-2-5-9-15/h2-11,14H,12-13H2,1H3,(H,18,19)
InChIKeyGEXAAZQYMKEHAN-UHFFFAOYSA-N
MW285.41 g/mol
LogP3.53
Rot. Bonds6

About N-(2-phenylethyl)-2-phenylsulfanylpropanamide

N-(2-phenylethyl)-2-phenylsulfanylpropanamide (PubChem CID 2889783) has the molecular formula C17H19NOS and a molecular weight of 285.41 g/mol. Its IUPAC name is N-(2-phenylethyl)-2-phenylsulfanylpropanamide.

Molecular Properties

Compound NameN-(2-phenylethyl)-2-phenylsulfanylpropanamide
PubChem CID2889783
Molecular FormulaC17H19NOS
Molecular Weight285.41 g/mol
Exact Mass285.12
IUPAC NameN-(2-phenylethyl)-2-phenylsulfanylpropanamide
SMILESCC(Sc1ccccc1)C(=O)NCCc1ccccc1
InChIInChI=1S/C17H19NOS/c1-14(20-16-10-6-3-7-11-16)17(19)18-13-12-15-8-4-2-5-9-15/h2-11,14H,12-13H2,1H3,(H,18,19)
InChIKeyGEXAAZQYMKEHAN-UHFFFAOYSA-N
XLogP3.53
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 53.53
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-phenylsulfanylpropanamide?
The IUPAC name of N-(2-phenylethyl)-2-phenylsulfanylpropanamide (CID 2889783) is N-(2-phenylethyl)-2-phenylsulfanylpropanamide.
What is the SMILES notation for N-(2-phenylethyl)-2-phenylsulfanylpropanamide?
The canonical SMILES for N-(2-phenylethyl)-2-phenylsulfanylpropanamide is CC(Sc1ccccc1)C(=O)NCCc1ccccc1.
What is the InChIKey of N-(2-phenylethyl)-2-phenylsulfanylpropanamide?
The InChIKey is GEXAAZQYMKEHAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NOS/c1-14(20-16-10-6-3-7-11-16)17(19)18-13-12-15-8-4-2-5-9-15/h2-11,14H,12-13H2,1H3,(H,18,19).
What are the key properties of N-(2-phenylethyl)-2-phenylsulfanylpropanamide?
N-(2-phenylethyl)-2-phenylsulfanylpropanamide has a molecular weight of 285.41 g/mol, XLogP of 3.53, 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-phenylsulfanylpropanamide is sourced from PubChem (CID 2889783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).