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

C17H19NOS — CID 13447277

IUPACN-(2-benzylsulfanyl-1-phenylethyl)acetamide
SMILESCC(=O)NC(CSCc1ccccc1)c1ccccc1
InChIInChI=1S/C17H19NOS/c1-14(19)18-17(16-10-6-3-7-11-16)13-20-12-15-8-4-2-5-9-15/h2-11,17H,12-13H2,1H3,(H,18,19)
InChIKeyZSHRHBLPULTFOS-UHFFFAOYSA-N
MW285.41 g/mol
LogP3.80
Rot. Bonds6

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

N-(2-benzylsulfanyl-1-phenylethyl)acetamide (PubChem CID 13447277) has the molecular formula C17H19NOS and a molecular weight of 285.41 g/mol. Its IUPAC name is N-(2-benzylsulfanyl-1-phenylethyl)acetamide.

Molecular Properties

Compound NameN-(2-benzylsulfanyl-1-phenylethyl)acetamide
PubChem CID13447277
Molecular FormulaC17H19NOS
Molecular Weight285.41 g/mol
Exact Mass285.12
IUPAC NameN-(2-benzylsulfanyl-1-phenylethyl)acetamide
SMILESCC(=O)NC(CSCc1ccccc1)c1ccccc1
InChIInChI=1S/C17H19NOS/c1-14(19)18-17(16-10-6-3-7-11-16)13-20-12-15-8-4-2-5-9-15/h2-11,17H,12-13H2,1H3,(H,18,19)
InChIKeyZSHRHBLPULTFOS-UHFFFAOYSA-N
XLogP3.80
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 ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 141414603
N-[2-(2-chlorophenyl)sulfanyl-1-phenylethyl]acetamide
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2-benzylsulfanyl-N-[(1S)-1-phenylpropyl]acetamide
CID 30381565
N-(1-phenyl-2-phenylmethoxyethyl)acetamide
CID 75373023
N-[2-(4-methoxyphenyl)sulfanyl-1-phenylethyl]acetamide
CID 15686336
N-(3-methyl-1-phenylbut-3-enyl)acetamide
CID 69439748
(3S)-3-acetamido-3-phenylpropanoate
CID 6935995
N-[(1R)-1-phenylbut-3-enyl]acetamide
CID 40521523
2-acetamido-3-(benzyldisulfanyl)propanoic acid
CID 175403676
(1-acetamido-1,5-diphenylpentan-3-yl) acetate
CID 101129152
[(2R)-1-amino-1-oxopropan-2-yl] (3R)-3-acetamido-3-phenylpropanoate
CID 7132707
CID 57067406
CID 57067406

Frequently Asked Questions

What is the IUPAC name of N-(2-benzylsulfanyl-1-phenylethyl)acetamide?
The IUPAC name of N-(2-benzylsulfanyl-1-phenylethyl)acetamide (CID 13447277) is N-(2-benzylsulfanyl-1-phenylethyl)acetamide.
What is the SMILES notation for N-(2-benzylsulfanyl-1-phenylethyl)acetamide?
The canonical SMILES for N-(2-benzylsulfanyl-1-phenylethyl)acetamide is CC(=O)NC(CSCc1ccccc1)c1ccccc1.
What is the InChIKey of N-(2-benzylsulfanyl-1-phenylethyl)acetamide?
The InChIKey is ZSHRHBLPULTFOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NOS/c1-14(19)18-17(16-10-6-3-7-11-16)13-20-12-15-8-4-2-5-9-15/h2-11,17H,12-13H2,1H3,(H,18,19).
What are the key properties of N-(2-benzylsulfanyl-1-phenylethyl)acetamide?
N-(2-benzylsulfanyl-1-phenylethyl)acetamide has a molecular weight of 285.41 g/mol, XLogP of 3.80, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzylsulfanyl-1-phenylethyl)acetamide is sourced from PubChem (CID 13447277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).