2-[(4-chlorophenyl)methylsulfanyl]-N-[1-(3-sulfamoylphenyl)ethyl]acetamide

C17H19ClN2O3S2 — CID 51213542

IUPAC2-[(4-chlorophenyl)methylsulfanyl]-N-[1-(3-sulfamoylphenyl)ethyl]acetamide
SMILESCC(NC(=O)CSCc1ccc(Cl)cc1)c1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C17H19ClN2O3S2/c1-12(14-3-2-4-16(9-14)25(19,22)23)20-17(21)11-24-10-13-5-7-15(18)8-6-13/h2-9,12H,10-11H2,1H3,(H,20,21)(H2,19,22,23)
InChIKeyCBPHLGUXHWSJNY-UHFFFAOYSA-N
MW398.94 g/mol
LogP3.10
Rot. Bonds7

About 2-[(4-chlorophenyl)methylsulfanyl]-N-[1-(3-sulfamoylphenyl)ethyl]acetamide

2-[(4-chlorophenyl)methylsulfanyl]-N-[1-(3-sulfamoylphenyl)ethyl]acetamide (PubChem CID 51213542) has the molecular formula C17H19ClN2O3S2 and a molecular weight of 398.94 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methylsulfanyl]-N-[1-(3-sulfamoylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methylsulfanyl]-N-[1-(3-sulfamoylphenyl)ethyl]acetamide
PubChem CID51213542
Molecular FormulaC17H19ClN2O3S2
Molecular Weight398.94 g/mol
Exact Mass398.05
IUPAC Name2-[(4-chlorophenyl)methylsulfanyl]-N-[1-(3-sulfamoylphenyl)ethyl]acetamide
SMILESCC(NC(=O)CSCc1ccc(Cl)cc1)c1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C17H19ClN2O3S2/c1-12(14-3-2-4-16(9-14)25(19,22)23)20-17(21)11-24-10-13-5-7-15(18)8-6-13/h2-9,12H,10-11H2,1H3,(H,20,21)(H2,19,22,23)
InChIKeyCBPHLGUXHWSJNY-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-(4-sulfamoylphenyl)ethyl]acetamide
CID 51146585
2-benzylsulfanyl-N-[(1S)-1-(3-chlorophenyl)ethyl]acetamide
CID 7377224
2-(4-chlorophenoxy)-N-[1-(3-sulfamoylphenyl)ethyl]acetamide
CID 51213474
2-(4-methylphenyl)sulfanyl-N-[1-(3-sulfamoylphenyl)ethyl]acetamide
CID 51213545
3,5-dichloro-N-[1-(3-sulfamoylphenyl)ethyl]benzamide
CID 51213469
3-methyl-N-[1-(3-sulfamoylphenyl)ethyl]pentanamide
CID 114876353
2-(3-chloro-4-fluorophenoxy)-N-[1-(3-sulfamoylphenyl)ethyl]acetamide
CID 134002717
1,1-diethyl-3-[1-(3-sulfamoylphenyl)ethyl]urea
CID 112729478
2-(3-methoxy-4-methylphenyl)-N-[1-(3-sulfamoylphenyl)ethyl]acetamide
CID 17483575
2-[[3-(dimethylsulfamoyl)phenyl]methylsulfanyl]-N-(1-phenylethyl)acetamide
CID 43000872
2,4-dichloro-5-fluoro-N-[1-(3-sulfamoylphenyl)ethyl]benzamide
CID 51213570
2-propoxy-N-[1-(3-sulfamoylphenyl)ethyl]acetamide
CID 51102309

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methylsulfanyl]-N-[1-(3-sulfamoylphenyl)ethyl]acetamide?
The IUPAC name of 2-[(4-chlorophenyl)methylsulfanyl]-N-[1-(3-sulfamoylphenyl)ethyl]acetamide (CID 51213542) is 2-[(4-chlorophenyl)methylsulfanyl]-N-[1-(3-sulfamoylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-[(4-chlorophenyl)methylsulfanyl]-N-[1-(3-sulfamoylphenyl)ethyl]acetamide?
The canonical SMILES for 2-[(4-chlorophenyl)methylsulfanyl]-N-[1-(3-sulfamoylphenyl)ethyl]acetamide is CC(NC(=O)CSCc1ccc(Cl)cc1)c1cccc(S(N)(=O)=O)c1.
What is the InChIKey of 2-[(4-chlorophenyl)methylsulfanyl]-N-[1-(3-sulfamoylphenyl)ethyl]acetamide?
The InChIKey is CBPHLGUXHWSJNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O3S2/c1-12(14-3-2-4-16(9-14)25(19,22)23)20-17(21)11-24-10-13-5-7-15(18)8-6-13/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-(3-sulfamoylphenyl)ethyl]acetamide?
2-[(4-chlorophenyl)methylsulfanyl]-N-[1-(3-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-(3-sulfamoylphenyl)ethyl]acetamide is sourced from PubChem (CID 51213542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).