3-(diethylsulfamoyl)-N-[2-[2-(methylamino)propylamino]-2-oxoethyl]benzamide;hydrochloride

C17H29ClN4O4S — CID 120827304

IUPAC3-(diethylsulfamoyl)-N-[2-[2-(methylamino)propylamino]-2-oxoethyl]benzamide;hydrochloride
SMILESCCN(CC)S(=O)(=O)c1cccc(C(=O)NCC(=O)NCC(C)NC)c1.Cl
InChIInChI=1S/C17H28N4O4S.ClH/c1-5-21(6-2)26(24,25)15-9-7-8-14(10-15)17(23)20-12-16(22)19-11-13(3)18-4;/h7-10,13,18H,5-6,11-12H2,1-4H3,(H,19,22)(H,20,23);1H
InChIKeyHGBOGLVMLKEVII-UHFFFAOYSA-N
MW420.96 g/mol
LogP0.59
Rot. Bonds10

About 3-(diethylsulfamoyl)-N-[2-[2-(methylamino)propylamino]-2-oxoethyl]benzamide;hydrochloride

3-(diethylsulfamoyl)-N-[2-[2-(methylamino)propylamino]-2-oxoethyl]benzamide;hydrochloride (PubChem CID 120827304) has the molecular formula C17H29ClN4O4S and a molecular weight of 420.96 g/mol. Its IUPAC name is 3-(diethylsulfamoyl)-N-[2-[2-(methylamino)propylamino]-2-oxoethyl]benzamide;hydrochloride.

Molecular Properties

Compound Name3-(diethylsulfamoyl)-N-[2-[2-(methylamino)propylamino]-2-oxoethyl]benzamide;hydrochloride
PubChem CID120827304
Molecular FormulaC17H29ClN4O4S
Molecular Weight420.96 g/mol
Exact Mass420.16
IUPAC Name3-(diethylsulfamoyl)-N-[2-[2-(methylamino)propylamino]-2-oxoethyl]benzamide;hydrochloride
SMILESCCN(CC)S(=O)(=O)c1cccc(C(=O)NCC(=O)NCC(C)NC)c1.Cl
InChIInChI=1S/C17H28N4O4S.ClH/c1-5-21(6-2)26(24,25)15-9-7-8-14(10-15)17(23)20-12-16(22)19-11-13(3)18-4;/h7-10,13,18H,5-6,11-12H2,1-4H3,(H,19,22)(H,20,23);1H
InChIKeyHGBOGLVMLKEVII-UHFFFAOYSA-N
XLogP0.59
TPSA107.61 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.96
LogP ≤ 50.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-bromo-N-[2-[2-(methylamino)propylamino]-2-oxoethyl]benzamide;hydrochloride
CID 120831532
3-(diethylsulfamoyl)-N-[2-[[(2R)-3-hydroxy-2-phenylpropyl]amino]-2-oxoethyl]benzamide
CID 96529266
3-(diethylsulfamoyl)-N-[2-(hexylamino)-2-oxoethyl]benzamide
CID 32646437
N-[2-(methylamino)propyl]-3-methylsulfonylbenzamide;hydrochloride
CID 120832243
N-[2-[(1-amino-2-methylpropan-2-yl)amino]-2-oxoethyl]-3-(diethylsulfamoyl)benzamide;hydrochloride
CID 119521498
3-(diethylsulfamoyl)-N-methylbenzamide
CID 47099917
N-[2-(methylamino)propyl]-3-[methyl(phenyl)sulfamoyl]benzamide
CID 120831499
3-(diethylsulfamoyl)-N-propylbenzamide
CID 2709423
3-(dimethylsulfamoyl)-N-[2-oxo-2-[[(2R)-2-phenylpropyl]amino]ethyl]benzamide
CID 8624154
N,N-diethyl-3-[(3-methylbutanoylamino)carbamoyl]benzenesulfonamide
CID 26654579
N-[(2S)-1-aminopropan-2-yl]-3-(diethylsulfamoyl)benzamide
CID 120505672
3,4-dichloro-N-[2-[2-(methylamino)propylamino]-2-oxoethyl]benzamide;hydrochloride
CID 120828973

Frequently Asked Questions

What is the IUPAC name of 3-(diethylsulfamoyl)-N-[2-[2-(methylamino)propylamino]-2-oxoethyl]benzamide;hydrochloride?
The IUPAC name of 3-(diethylsulfamoyl)-N-[2-[2-(methylamino)propylamino]-2-oxoethyl]benzamide;hydrochloride (CID 120827304) is 3-(diethylsulfamoyl)-N-[2-[2-(methylamino)propylamino]-2-oxoethyl]benzamide;hydrochloride.
What is the SMILES notation for 3-(diethylsulfamoyl)-N-[2-[2-(methylamino)propylamino]-2-oxoethyl]benzamide;hydrochloride?
The canonical SMILES for 3-(diethylsulfamoyl)-N-[2-[2-(methylamino)propylamino]-2-oxoethyl]benzamide;hydrochloride is CCN(CC)S(=O)(=O)c1cccc(C(=O)NCC(=O)NCC(C)NC)c1.Cl.
What is the InChIKey of 3-(diethylsulfamoyl)-N-[2-[2-(methylamino)propylamino]-2-oxoethyl]benzamide;hydrochloride?
The InChIKey is HGBOGLVMLKEVII-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O4S.ClH/c1-5-21(6-2)26(24,25)15-9-7-8-14(10-15)17(23)20-12-16(22)19-11-13(3)18-4;/h7-10,13,18H,5-6,11-12H2,1-4H3,(H,19,22)(H,20,23);1H.
What are the key properties of 3-(diethylsulfamoyl)-N-[2-[2-(methylamino)propylamino]-2-oxoethyl]benzamide;hydrochloride?
3-(diethylsulfamoyl)-N-[2-[2-(methylamino)propylamino]-2-oxoethyl]benzamide;hydrochloride has a molecular weight of 420.96 g/mol, XLogP of 0.59, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diethylsulfamoyl)-N-[2-[2-(methylamino)propylamino]-2-oxoethyl]benzamide;hydrochloride is sourced from PubChem (CID 120827304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).