N-[2-(methylsulfamoyl)ethyl]-4-sulfanylbenzamide

C10H14N2O3S2 — CID 114175650

IUPACN-[2-(methylsulfamoyl)ethyl]-4-sulfanylbenzamide
SMILESCNS(=O)(=O)CCNC(=O)c1ccc(S)cc1
InChIInChI=1S/C10H14N2O3S2/c1-11-17(14,15)7-6-12-10(13)8-2-4-9(16)5-3-8/h2-5,11,16H,6-7H2,1H3,(H,12,13)
InChIKeyFYAOJNAWCXRIFK-UHFFFAOYSA-N
MW274.37 g/mol
LogP0.25
Rot. Bonds5

About N-[2-(methylsulfamoyl)ethyl]-4-sulfanylbenzamide

N-[2-(methylsulfamoyl)ethyl]-4-sulfanylbenzamide (PubChem CID 114175650) has the molecular formula C10H14N2O3S2 and a molecular weight of 274.37 g/mol. Its IUPAC name is N-[2-(methylsulfamoyl)ethyl]-4-sulfanylbenzamide.

Molecular Properties

Compound NameN-[2-(methylsulfamoyl)ethyl]-4-sulfanylbenzamide
PubChem CID114175650
Molecular FormulaC10H14N2O3S2
Molecular Weight274.37 g/mol
Exact Mass274.04
IUPAC NameN-[2-(methylsulfamoyl)ethyl]-4-sulfanylbenzamide
SMILESCNS(=O)(=O)CCNC(=O)c1ccc(S)cc1
InChIInChI=1S/C10H14N2O3S2/c1-11-17(14,15)7-6-12-10(13)8-2-4-9(16)5-3-8/h2-5,11,16H,6-7H2,1H3,(H,12,13)
InChIKeyFYAOJNAWCXRIFK-UHFFFAOYSA-N
XLogP0.25
TPSA75.27 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 50.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

4-[2-(methylsulfamoyl)ethylcarbamoyl]benzoic acid
CID 106341777
4-amino-N-[2-(methylsulfamoyl)ethyl]benzamide
CID 106332797
N-(2-methylsulfonylethyl)-4-sulfanylbenzamide
CID 107023639
6-fluoro-N-[2-(methylsulfamoyl)ethyl]pyridine-3-carboxamide
CID 102685105
6-(methylamino)-N-[2-(methylsulfamoyl)ethyl]pyridine-3-carboxamide
CID 106342502
3,5-dimethoxy-N-[2-(methylsulfamoyl)ethyl]benzamide
CID 7619022
N-[2-(dimethylamino)ethyl]-4-sulfanylbenzamide
CID 107019569
N-decyl-4-sulfanylbenzamide
CID 107032455
4-bromo-N-[2-(methylsulfamoyl)ethyl]-3-nitrobenzamide
CID 106336067
3,5-difluoro-4-hydrazinyl-N-[2-(methylsulfamoyl)ethyl]benzamide
CID 106340860
4-fluoro-N-[2-(2-methylpropylsulfamoyl)ethyl]benzamide
CID 7618372
2-(methylamino)-N-[2-(methylsulfamoyl)ethyl]benzamide
CID 114175674

Frequently Asked Questions

What is the IUPAC name of N-[2-(methylsulfamoyl)ethyl]-4-sulfanylbenzamide?
The IUPAC name of N-[2-(methylsulfamoyl)ethyl]-4-sulfanylbenzamide (CID 114175650) is N-[2-(methylsulfamoyl)ethyl]-4-sulfanylbenzamide.
What is the SMILES notation for N-[2-(methylsulfamoyl)ethyl]-4-sulfanylbenzamide?
The canonical SMILES for N-[2-(methylsulfamoyl)ethyl]-4-sulfanylbenzamide is CNS(=O)(=O)CCNC(=O)c1ccc(S)cc1.
What is the InChIKey of N-[2-(methylsulfamoyl)ethyl]-4-sulfanylbenzamide?
The InChIKey is FYAOJNAWCXRIFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3S2/c1-11-17(14,15)7-6-12-10(13)8-2-4-9(16)5-3-8/h2-5,11,16H,6-7H2,1H3,(H,12,13).
What are the key properties of N-[2-(methylsulfamoyl)ethyl]-4-sulfanylbenzamide?
N-[2-(methylsulfamoyl)ethyl]-4-sulfanylbenzamide has a molecular weight of 274.37 g/mol, XLogP of 0.25, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(methylsulfamoyl)ethyl]-4-sulfanylbenzamide is sourced from PubChem (CID 114175650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).