N-(2-benzylsulfanylethyl)benzamide

C16H17NOS — CID 2284259

IUPACN-(2-benzylsulfanylethyl)benzamide
SMILESO=C(NCCSCc1ccccc1)c1ccccc1
InChIInChI=1S/C16H17NOS/c18-16(15-9-5-2-6-10-15)17-11-12-19-13-14-7-3-1-4-8-14/h1-10H,11-13H2,(H,17,18)
InChIKeyLLVRQLGBXXYQQX-UHFFFAOYSA-N
MW271.39 g/mol
LogP3.35
Rot. Bonds6

About N-(2-benzylsulfanylethyl)benzamide

N-(2-benzylsulfanylethyl)benzamide (PubChem CID 2284259) has the molecular formula C16H17NOS and a molecular weight of 271.39 g/mol. Its IUPAC name is N-(2-benzylsulfanylethyl)benzamide.

Molecular Properties

Compound NameN-(2-benzylsulfanylethyl)benzamide
PubChem CID2284259
Molecular FormulaC16H17NOS
Molecular Weight271.39 g/mol
Exact Mass271.10
IUPAC NameN-(2-benzylsulfanylethyl)benzamide
SMILESO=C(NCCSCc1ccccc1)c1ccccc1
InChIInChI=1S/C16H17NOS/c18-16(15-9-5-2-6-10-15)17-11-12-19-13-14-7-3-1-4-8-14/h1-10H,11-13H2,(H,17,18)
InChIKeyLLVRQLGBXXYQQX-UHFFFAOYSA-N
XLogP3.35
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-benzylsulfanylethyl)benzamide?
The IUPAC name of N-(2-benzylsulfanylethyl)benzamide (CID 2284259) is N-(2-benzylsulfanylethyl)benzamide.
What is the SMILES notation for N-(2-benzylsulfanylethyl)benzamide?
The canonical SMILES for N-(2-benzylsulfanylethyl)benzamide is O=C(NCCSCc1ccccc1)c1ccccc1.
What is the InChIKey of N-(2-benzylsulfanylethyl)benzamide?
The InChIKey is LLVRQLGBXXYQQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NOS/c18-16(15-9-5-2-6-10-15)17-11-12-19-13-14-7-3-1-4-8-14/h1-10H,11-13H2,(H,17,18).
What are the key properties of N-(2-benzylsulfanylethyl)benzamide?
N-(2-benzylsulfanylethyl)benzamide has a molecular weight of 271.39 g/mol, XLogP of 3.35, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzylsulfanylethyl)benzamide is sourced from PubChem (CID 2284259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).