N-(2-benzylsulfanylethyl)-2-(methanesulfonamido)benzamide

C17H20N2O3S2 — CID 2229235

IUPACN-(2-benzylsulfanylethyl)-2-(methanesulfonamido)benzamide
SMILESCS(=O)(=O)Nc1ccccc1C(=O)NCCSCc1ccccc1
InChIInChI=1S/C17H20N2O3S2/c1-24(21,22)19-16-10-6-5-9-15(16)17(20)18-11-12-23-13-14-7-3-2-4-8-14/h2-10,19H,11-13H2,1H3,(H,18,20)
InChIKeyYWFKWHFIOLVJLK-UHFFFAOYSA-N
MW364.49 g/mol
LogP2.72
Rot. Bonds8

About N-(2-benzylsulfanylethyl)-2-(methanesulfonamido)benzamide

N-(2-benzylsulfanylethyl)-2-(methanesulfonamido)benzamide (PubChem CID 2229235) has the molecular formula C17H20N2O3S2 and a molecular weight of 364.49 g/mol. Its IUPAC name is N-(2-benzylsulfanylethyl)-2-(methanesulfonamido)benzamide.

Molecular Properties

Compound NameN-(2-benzylsulfanylethyl)-2-(methanesulfonamido)benzamide
PubChem CID2229235
Molecular FormulaC17H20N2O3S2
Molecular Weight364.49 g/mol
Exact Mass364.09
IUPAC NameN-(2-benzylsulfanylethyl)-2-(methanesulfonamido)benzamide
SMILESCS(=O)(=O)Nc1ccccc1C(=O)NCCSCc1ccccc1
InChIInChI=1S/C17H20N2O3S2/c1-24(21,22)19-16-10-6-5-9-15(16)17(20)18-11-12-23-13-14-7-3-2-4-8-14/h2-10,19H,11-13H2,1H3,(H,18,20)
InChIKeyYWFKWHFIOLVJLK-UHFFFAOYSA-N
XLogP2.72
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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)-2-(methanesulfonamido)benzamide?
The IUPAC name of N-(2-benzylsulfanylethyl)-2-(methanesulfonamido)benzamide (CID 2229235) is N-(2-benzylsulfanylethyl)-2-(methanesulfonamido)benzamide.
What is the SMILES notation for N-(2-benzylsulfanylethyl)-2-(methanesulfonamido)benzamide?
The canonical SMILES for N-(2-benzylsulfanylethyl)-2-(methanesulfonamido)benzamide is CS(=O)(=O)Nc1ccccc1C(=O)NCCSCc1ccccc1.
What is the InChIKey of N-(2-benzylsulfanylethyl)-2-(methanesulfonamido)benzamide?
The InChIKey is YWFKWHFIOLVJLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3S2/c1-24(21,22)19-16-10-6-5-9-15(16)17(20)18-11-12-23-13-14-7-3-2-4-8-14/h2-10,19H,11-13H2,1H3,(H,18,20).
What are the key properties of N-(2-benzylsulfanylethyl)-2-(methanesulfonamido)benzamide?
N-(2-benzylsulfanylethyl)-2-(methanesulfonamido)benzamide has a molecular weight of 364.49 g/mol, XLogP of 2.72, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzylsulfanylethyl)-2-(methanesulfonamido)benzamide is sourced from PubChem (CID 2229235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).