N-ethyl-5-(ethylsulfamoyl)-2-(methylamino)benzamide

C12H19N3O3S — CID 134896406

IUPACN-ethyl-5-(ethylsulfamoyl)-2-(methylamino)benzamide
SMILESCCNC(=O)c1cc(S(=O)(=O)NCC)ccc1NC
InChIInChI=1S/C12H19N3O3S/c1-4-14-12(16)10-8-9(6-7-11(10)13-3)19(17,18)15-5-2/h6-8,13,15H,4-5H2,1-3H3,(H,14,16)
InChIKeyVKXRXDCUXTUMRN-UHFFFAOYSA-N
MW285.37 g/mol
LogP0.78
Rot. Bonds6

About N-ethyl-5-(ethylsulfamoyl)-2-(methylamino)benzamide

N-ethyl-5-(ethylsulfamoyl)-2-(methylamino)benzamide (PubChem CID 134896406) has the molecular formula C12H19N3O3S and a molecular weight of 285.37 g/mol. Its IUPAC name is N-ethyl-5-(ethylsulfamoyl)-2-(methylamino)benzamide.

Molecular Properties

Compound NameN-ethyl-5-(ethylsulfamoyl)-2-(methylamino)benzamide
PubChem CID134896406
Molecular FormulaC12H19N3O3S
Molecular Weight285.37 g/mol
Exact Mass285.11
IUPAC NameN-ethyl-5-(ethylsulfamoyl)-2-(methylamino)benzamide
SMILESCCNC(=O)c1cc(S(=O)(=O)NCC)ccc1NC
InChIInChI=1S/C12H19N3O3S/c1-4-14-12(16)10-8-9(6-7-11(10)13-3)19(17,18)15-5-2/h6-8,13,15H,4-5H2,1-3H3,(H,14,16)
InChIKeyVKXRXDCUXTUMRN-UHFFFAOYSA-N
XLogP0.78
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 50.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-(ethylsulfamoyl)-2-(methylamino)benzamide?
The IUPAC name of N-ethyl-5-(ethylsulfamoyl)-2-(methylamino)benzamide (CID 134896406) is N-ethyl-5-(ethylsulfamoyl)-2-(methylamino)benzamide.
What is the SMILES notation for N-ethyl-5-(ethylsulfamoyl)-2-(methylamino)benzamide?
The canonical SMILES for N-ethyl-5-(ethylsulfamoyl)-2-(methylamino)benzamide is CCNC(=O)c1cc(S(=O)(=O)NCC)ccc1NC.
What is the InChIKey of N-ethyl-5-(ethylsulfamoyl)-2-(methylamino)benzamide?
The InChIKey is VKXRXDCUXTUMRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3S/c1-4-14-12(16)10-8-9(6-7-11(10)13-3)19(17,18)15-5-2/h6-8,13,15H,4-5H2,1-3H3,(H,14,16).
What are the key properties of N-ethyl-5-(ethylsulfamoyl)-2-(methylamino)benzamide?
N-ethyl-5-(ethylsulfamoyl)-2-(methylamino)benzamide has a molecular weight of 285.37 g/mol, XLogP of 0.78, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-(ethylsulfamoyl)-2-(methylamino)benzamide is sourced from PubChem (CID 134896406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).