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

C16H18N2O3S2 — CID 1321007

IUPAC2-phenylsulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
SMILESNS(=O)(=O)c1ccc(CCNC(=O)CSc2ccccc2)cc1
InChIInChI=1S/C16H18N2O3S2/c17-23(20,21)15-8-6-13(7-9-15)10-11-18-16(19)12-22-14-4-2-1-3-5-14/h1-9H,10-12H2,(H,18,19)(H2,17,20,21)
InChIKeyUJTPMHSWKSWXKH-UHFFFAOYSA-N
MW350.47 g/mol
LogP1.78
Rot. Bonds7

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

2-phenylsulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide (PubChem CID 1321007) has the molecular formula C16H18N2O3S2 and a molecular weight of 350.47 g/mol. Its IUPAC name is 2-phenylsulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-phenylsulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
PubChem CID1321007
Molecular FormulaC16H18N2O3S2
Molecular Weight350.47 g/mol
Exact Mass350.08
IUPAC Name2-phenylsulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
SMILESNS(=O)(=O)c1ccc(CCNC(=O)CSc2ccccc2)cc1
InChIInChI=1S/C16H18N2O3S2/c17-23(20,21)15-8-6-13(7-9-15)10-11-18-16(19)12-22-14-4-2-1-3-5-14/h1-9H,10-12H2,(H,18,19)(H2,17,20,21)
InChIKeyUJTPMHSWKSWXKH-UHFFFAOYSA-N
XLogP1.78
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.47
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-phenylsulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?
The IUPAC name of 2-phenylsulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide (CID 1321007) is 2-phenylsulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-phenylsulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?
The canonical SMILES for 2-phenylsulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide is NS(=O)(=O)c1ccc(CCNC(=O)CSc2ccccc2)cc1.
What is the InChIKey of 2-phenylsulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?
The InChIKey is UJTPMHSWKSWXKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3S2/c17-23(20,21)15-8-6-13(7-9-15)10-11-18-16(19)12-22-14-4-2-1-3-5-14/h1-9H,10-12H2,(H,18,19)(H2,17,20,21).
What are the key properties of 2-phenylsulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?
2-phenylsulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide has a molecular weight of 350.47 g/mol, XLogP of 1.78, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylsulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide is sourced from PubChem (CID 1321007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).