2-[(4-chlorophenyl)methylsulfanyl]-N-[1-(4-sulfamoylphenyl)ethyl]acetamide

C17H19ClN2O3S2 — CID 51146585

IUPAC2-[(4-chlorophenyl)methylsulfanyl]-N-[1-(4-sulfamoylphenyl)ethyl]acetamide
SMILESCC(NC(=O)CSCc1ccc(Cl)cc1)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C17H19ClN2O3S2/c1-12(14-4-8-16(9-5-14)25(19,22)23)20-17(21)11-24-10-13-2-6-15(18)7-3-13/h2-9,12H,10-11H2,1H3,(H,20,21)(H2,19,22,23)
InChIKeyUPNSOJYSXUPJPU-UHFFFAOYSA-N
MW398.94 g/mol
LogP3.10
Rot. Bonds7

About 2-[(4-chlorophenyl)methylsulfanyl]-N-[1-(4-sulfamoylphenyl)ethyl]acetamide

2-[(4-chlorophenyl)methylsulfanyl]-N-[1-(4-sulfamoylphenyl)ethyl]acetamide (PubChem CID 51146585) has the molecular formula C17H19ClN2O3S2 and a molecular weight of 398.94 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methylsulfanyl]-N-[1-(4-sulfamoylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methylsulfanyl]-N-[1-(4-sulfamoylphenyl)ethyl]acetamide
PubChem CID51146585
Molecular FormulaC17H19ClN2O3S2
Molecular Weight398.94 g/mol
Exact Mass398.05
IUPAC Name2-[(4-chlorophenyl)methylsulfanyl]-N-[1-(4-sulfamoylphenyl)ethyl]acetamide
SMILESCC(NC(=O)CSCc1ccc(Cl)cc1)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C17H19ClN2O3S2/c1-12(14-4-8-16(9-5-14)25(19,22)23)20-17(21)11-24-10-13-2-6-15(18)7-3-13/h2-9,12H,10-11H2,1H3,(H,20,21)(H2,19,22,23)
InChIKeyUPNSOJYSXUPJPU-UHFFFAOYSA-N
XLogP3.10
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.94
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-chlorophenyl)methylsulfanyl]-N-[1-(3-sulfamoylphenyl)ethyl]acetamide
CID 51213542
2-[(4-chlorophenyl)methyl-methylamino]-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]acetamide
CID 8540898
3-amino-N-[1-(4-sulfamoylphenyl)ethyl]propanamide
CID 43702371
ethyl 2-[[2-[(4-chlorophenyl)methylsulfanyl]acetyl]amino]propanoate
CID 61343328
2-phenylsulfanyl-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]acetamide
CID 2572446
2-(4-methylphenyl)sulfanyl-N-[1-(4-sulfamoylphenyl)ethyl]acetamide
CID 51146576
N-[1-(4-methylphenyl)ethyl]-2-[(4-sulfamoylphenyl)methylamino]acetamide
CID 50957640
2-(4-chlorophenyl)-N-[(1R)-1-(4-chlorophenyl)ethyl]acetamide
CID 8751569
2-(2,4-difluorophenyl)sulfanyl-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]acetamide
CID 8633334
2-(2,4-difluorophenyl)sulfanyl-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]acetamide
CID 8633335
2-[(4-chlorophenyl)methylsulfanyl]-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]acetamide
CID 103722948
5-chloro-2-fluoro-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]benzamide
CID 27759607

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methylsulfanyl]-N-[1-(4-sulfamoylphenyl)ethyl]acetamide?
The IUPAC name of 2-[(4-chlorophenyl)methylsulfanyl]-N-[1-(4-sulfamoylphenyl)ethyl]acetamide (CID 51146585) is 2-[(4-chlorophenyl)methylsulfanyl]-N-[1-(4-sulfamoylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-[(4-chlorophenyl)methylsulfanyl]-N-[1-(4-sulfamoylphenyl)ethyl]acetamide?
The canonical SMILES for 2-[(4-chlorophenyl)methylsulfanyl]-N-[1-(4-sulfamoylphenyl)ethyl]acetamide is CC(NC(=O)CSCc1ccc(Cl)cc1)c1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 2-[(4-chlorophenyl)methylsulfanyl]-N-[1-(4-sulfamoylphenyl)ethyl]acetamide?
The InChIKey is UPNSOJYSXUPJPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O3S2/c1-12(14-4-8-16(9-5-14)25(19,22)23)20-17(21)11-24-10-13-2-6-15(18)7-3-13/h2-9,12H,10-11H2,1H3,(H,20,21)(H2,19,22,23).
What are the key properties of 2-[(4-chlorophenyl)methylsulfanyl]-N-[1-(4-sulfamoylphenyl)ethyl]acetamide?
2-[(4-chlorophenyl)methylsulfanyl]-N-[1-(4-sulfamoylphenyl)ethyl]acetamide has a molecular weight of 398.94 g/mol, XLogP of 3.10, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methylsulfanyl]-N-[1-(4-sulfamoylphenyl)ethyl]acetamide is sourced from PubChem (CID 51146585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).