2-benzylsulfanyl-N-(1-phenylethyl)propanamide

C18H21NOS — CID 2889659

IUPAC2-benzylsulfanyl-N-(1-phenylethyl)propanamide
SMILESCC(SCc1ccccc1)C(=O)NC(C)c1ccccc1
InChIInChI=1S/C18H21NOS/c1-14(17-11-7-4-8-12-17)19-18(20)15(2)21-13-16-9-5-3-6-10-16/h3-12,14-15H,13H2,1-2H3,(H,19,20)
InChIKeyLNKCVOXWCZASMK-UHFFFAOYSA-N
MW299.44 g/mol
LogP4.19
Rot. Bonds6

About 2-benzylsulfanyl-N-(1-phenylethyl)propanamide

2-benzylsulfanyl-N-(1-phenylethyl)propanamide (PubChem CID 2889659) has the molecular formula C18H21NOS and a molecular weight of 299.44 g/mol. Its IUPAC name is 2-benzylsulfanyl-N-(1-phenylethyl)propanamide.

Molecular Properties

Compound Name2-benzylsulfanyl-N-(1-phenylethyl)propanamide
PubChem CID2889659
Molecular FormulaC18H21NOS
Molecular Weight299.44 g/mol
Exact Mass299.13
IUPAC Name2-benzylsulfanyl-N-(1-phenylethyl)propanamide
SMILESCC(SCc1ccccc1)C(=O)NC(C)c1ccccc1
InChIInChI=1S/C18H21NOS/c1-14(17-11-7-4-8-12-17)19-18(20)15(2)21-13-16-9-5-3-6-10-16/h3-12,14-15H,13H2,1-2H3,(H,19,20)
InChIKeyLNKCVOXWCZASMK-UHFFFAOYSA-N
XLogP4.19
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-benzylsulfanyl-N-(1-phenylethyl)propanamide?
The IUPAC name of 2-benzylsulfanyl-N-(1-phenylethyl)propanamide (CID 2889659) is 2-benzylsulfanyl-N-(1-phenylethyl)propanamide.
What is the SMILES notation for 2-benzylsulfanyl-N-(1-phenylethyl)propanamide?
The canonical SMILES for 2-benzylsulfanyl-N-(1-phenylethyl)propanamide is CC(SCc1ccccc1)C(=O)NC(C)c1ccccc1.
What is the InChIKey of 2-benzylsulfanyl-N-(1-phenylethyl)propanamide?
The InChIKey is LNKCVOXWCZASMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NOS/c1-14(17-11-7-4-8-12-17)19-18(20)15(2)21-13-16-9-5-3-6-10-16/h3-12,14-15H,13H2,1-2H3,(H,19,20).
What are the key properties of 2-benzylsulfanyl-N-(1-phenylethyl)propanamide?
2-benzylsulfanyl-N-(1-phenylethyl)propanamide has a molecular weight of 299.44 g/mol, XLogP of 4.19, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylsulfanyl-N-(1-phenylethyl)propanamide is sourced from PubChem (CID 2889659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).