2-benzylsulfanyl-N-phenylacetamide

C15H15NOS — CID 584914

IUPAC2-benzylsulfanyl-N-phenylacetamide
SMILESO=C(CSCc1ccccc1)Nc1ccccc1
InChIInChI=1S/C15H15NOS/c17-15(16-14-9-5-2-6-10-14)12-18-11-13-7-3-1-4-8-13/h1-10H,11-12H2,(H,16,17)
InChIKeyBSVKTDZTZBLGIA-UHFFFAOYSA-N
MW257.36 g/mol
LogP3.56
Rot. Bonds5

About 2-benzylsulfanyl-N-phenylacetamide

2-benzylsulfanyl-N-phenylacetamide (PubChem CID 584914) has the molecular formula C15H15NOS and a molecular weight of 257.36 g/mol. Its IUPAC name is 2-benzylsulfanyl-N-phenylacetamide.

Molecular Properties

Compound Name2-benzylsulfanyl-N-phenylacetamide
PubChem CID584914
Molecular FormulaC15H15NOS
Molecular Weight257.36 g/mol
Exact Mass257.09
IUPAC Name2-benzylsulfanyl-N-phenylacetamide
SMILESO=C(CSCc1ccccc1)Nc1ccccc1
InChIInChI=1S/C15H15NOS/c17-15(16-14-9-5-2-6-10-14)12-18-11-13-7-3-1-4-8-13/h1-10H,11-12H2,(H,16,17)
InChIKeyBSVKTDZTZBLGIA-UHFFFAOYSA-N
XLogP3.56
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(2-anilino-2-oxoethyl)sulfanylmethyl]benzoate
CID 5012492
2-benzylsulfanyl-N-naphthalen-2-ylacetamide
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2-benzylsulfanyl-N-(4-piperidin-1-ylphenyl)acetamide
CID 7922450
2-benzylsulfanyl-N-[4-[2-[4-[(2-benzylsulfanylacetyl)amino]phenyl]pyrimidin-5-yl]phenyl]acetamide
CID 4176805
2-benzylsulfanyl-N-pyrimidin-2-ylacetamide
CID 4167092
2-benzylsulfanyl-N-[2-[(2-benzylsulfanylacetyl)amino]ethyl]acetamide
CID 7784841
N-(4-chlorophenyl)-2-[(4-chlorophenyl)methylsulfanyl]acetamide
CID 2272588
2-benzylsulfanyl-N-(2-iodophenyl)acetamide
CID 4779995
2-(2-anilino-2-oxoethyl)sulfanyl-N-(2-phenylethyl)acetamide
CID 7574875
4-[(2-benzylsulfanylacetyl)amino]pyridine-2-carboxylic acid
CID 63650192
2-(2-anilino-2-oxoethyl)sulfanylacetate
CID 5216476
N-phenyl-2-(2-pyridin-4-ylethylsulfanyl)acetamide
CID 100724139

Frequently Asked Questions

What is the IUPAC name of 2-benzylsulfanyl-N-phenylacetamide?
The IUPAC name of 2-benzylsulfanyl-N-phenylacetamide (CID 584914) is 2-benzylsulfanyl-N-phenylacetamide.
What is the SMILES notation for 2-benzylsulfanyl-N-phenylacetamide?
The canonical SMILES for 2-benzylsulfanyl-N-phenylacetamide is O=C(CSCc1ccccc1)Nc1ccccc1.
What is the InChIKey of 2-benzylsulfanyl-N-phenylacetamide?
The InChIKey is BSVKTDZTZBLGIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NOS/c17-15(16-14-9-5-2-6-10-14)12-18-11-13-7-3-1-4-8-13/h1-10H,11-12H2,(H,16,17).
What are the key properties of 2-benzylsulfanyl-N-phenylacetamide?
2-benzylsulfanyl-N-phenylacetamide has a molecular weight of 257.36 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylsulfanyl-N-phenylacetamide is sourced from PubChem (CID 584914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).