2-benzylsulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide

C17H20N2O3S2 — CID 1304638

IUPAC2-benzylsulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
SMILESNS(=O)(=O)c1ccc(CCNC(=O)CSCc2ccccc2)cc1
InChIInChI=1S/C17H20N2O3S2/c18-24(21,22)16-8-6-14(7-9-16)10-11-19-17(20)13-23-12-15-4-2-1-3-5-15/h1-9H,10-13H2,(H,19,20)(H2,18,21,22)
InChIKeyKTXVHLSKXCEQAD-UHFFFAOYSA-N
MW364.49 g/mol
LogP1.93
Rot. Bonds8

About 2-benzylsulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide

2-benzylsulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide (PubChem CID 1304638) has the molecular formula C17H20N2O3S2 and a molecular weight of 364.49 g/mol. Its IUPAC name is 2-benzylsulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-benzylsulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
PubChem CID1304638
Molecular FormulaC17H20N2O3S2
Molecular Weight364.49 g/mol
Exact Mass364.09
IUPAC Name2-benzylsulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
SMILESNS(=O)(=O)c1ccc(CCNC(=O)CSCc2ccccc2)cc1
InChIInChI=1S/C17H20N2O3S2/c18-24(21,22)16-8-6-14(7-9-16)10-11-19-17(20)13-23-12-15-4-2-1-3-5-15/h1-9H,10-13H2,(H,19,20)(H2,18,21,22)
InChIKeyKTXVHLSKXCEQAD-UHFFFAOYSA-N
XLogP1.93
TPSA89.26 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 ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-benzylsulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?
The IUPAC name of 2-benzylsulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide (CID 1304638) is 2-benzylsulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-benzylsulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?
The canonical SMILES for 2-benzylsulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide is NS(=O)(=O)c1ccc(CCNC(=O)CSCc2ccccc2)cc1.
What is the InChIKey of 2-benzylsulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?
The InChIKey is KTXVHLSKXCEQAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3S2/c18-24(21,22)16-8-6-14(7-9-16)10-11-19-17(20)13-23-12-15-4-2-1-3-5-15/h1-9H,10-13H2,(H,19,20)(H2,18,21,22).
What are the key properties of 2-benzylsulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?
2-benzylsulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide has a molecular weight of 364.49 g/mol, XLogP of 1.93, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylsulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide is sourced from PubChem (CID 1304638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).