N-[2-[(1-amino-2-methylpropan-2-yl)amino]-2-oxoethyl]-3-(diethylsulfamoyl)benzamide;hydrochloride

C17H29ClN4O4S — CID 119521498

IUPACN-[2-[(1-amino-2-methylpropan-2-yl)amino]-2-oxoethyl]-3-(diethylsulfamoyl)benzamide;hydrochloride
SMILESCCN(CC)S(=O)(=O)c1cccc(C(=O)NCC(=O)NC(C)(C)CN)c1.Cl
InChIInChI=1S/C17H28N4O4S.ClH/c1-5-21(6-2)26(24,25)14-9-7-8-13(10-14)16(23)19-11-15(22)20-17(3,4)12-18;/h7-10H,5-6,11-12,18H2,1-4H3,(H,19,23)(H,20,22);1H
InChIKeyWZGAJIFXOYGOGL-UHFFFAOYSA-N
MW420.96 g/mol
LogP0.72
Rot. Bonds9

About N-[2-[(1-amino-2-methylpropan-2-yl)amino]-2-oxoethyl]-3-(diethylsulfamoyl)benzamide;hydrochloride

N-[2-[(1-amino-2-methylpropan-2-yl)amino]-2-oxoethyl]-3-(diethylsulfamoyl)benzamide;hydrochloride (PubChem CID 119521498) has the molecular formula C17H29ClN4O4S and a molecular weight of 420.96 g/mol. Its IUPAC name is N-[2-[(1-amino-2-methylpropan-2-yl)amino]-2-oxoethyl]-3-(diethylsulfamoyl)benzamide;hydrochloride.

Molecular Properties

Compound NameN-[2-[(1-amino-2-methylpropan-2-yl)amino]-2-oxoethyl]-3-(diethylsulfamoyl)benzamide;hydrochloride
PubChem CID119521498
Molecular FormulaC17H29ClN4O4S
Molecular Weight420.96 g/mol
Exact Mass420.16
IUPAC NameN-[2-[(1-amino-2-methylpropan-2-yl)amino]-2-oxoethyl]-3-(diethylsulfamoyl)benzamide;hydrochloride
SMILESCCN(CC)S(=O)(=O)c1cccc(C(=O)NCC(=O)NC(C)(C)CN)c1.Cl
InChIInChI=1S/C17H28N4O4S.ClH/c1-5-21(6-2)26(24,25)14-9-7-8-13(10-14)16(23)19-11-15(22)20-17(3,4)12-18;/h7-10H,5-6,11-12,18H2,1-4H3,(H,19,23)(H,20,22);1H
InChIKeyWZGAJIFXOYGOGL-UHFFFAOYSA-N
XLogP0.72
TPSA121.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.96
LogP ≤ 50.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 120827304
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CID 32646437
3-(diethylsulfamoyl)-N-propylbenzamide
CID 2709423
3-(diethylsulfamoyl)-N-methylbenzamide
CID 47099917
3-(diethylsulfamoyl)-N-[2-(dimethylamino)ethyl]benzamide
CID 2196169
3-(diethylsulfamoyl)-N-[2-[[(2R)-3-hydroxy-2-phenylpropyl]amino]-2-oxoethyl]benzamide
CID 96529266
N-(1-amino-2-methylpropan-2-yl)-3-[methyl-(4-methylphenyl)sulfamoyl]benzamide
CID 119521508
N-[2-[2-[3-(diethylsulfamoyl)benzoyl]hydrazinyl]-2-oxoethyl]-2-fluorobenzamide
CID 34524023
N-(1-amino-2-methylpropan-2-yl)-3-[(3-chlorophenyl)-methylsulfamoyl]benzamide;hydrochloride
CID 119522322
N-[(2S)-1-aminopropan-2-yl]-3-(diethylsulfamoyl)benzamide
CID 120505672
3-(diethylsulfamoyl)-N-[2-[(1S,5S)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]-2-oxoethyl]benzamide
CID 98212713
[2-(3-acetylanilino)-2-oxoethyl] 2-[[4-(diethylsulfamoyl)benzoyl]amino]acetate
CID 55304230

Frequently Asked Questions

What is the IUPAC name of N-[2-[(1-amino-2-methylpropan-2-yl)amino]-2-oxoethyl]-3-(diethylsulfamoyl)benzamide;hydrochloride?
The IUPAC name of N-[2-[(1-amino-2-methylpropan-2-yl)amino]-2-oxoethyl]-3-(diethylsulfamoyl)benzamide;hydrochloride (CID 119521498) is N-[2-[(1-amino-2-methylpropan-2-yl)amino]-2-oxoethyl]-3-(diethylsulfamoyl)benzamide;hydrochloride.
What is the SMILES notation for N-[2-[(1-amino-2-methylpropan-2-yl)amino]-2-oxoethyl]-3-(diethylsulfamoyl)benzamide;hydrochloride?
The canonical SMILES for N-[2-[(1-amino-2-methylpropan-2-yl)amino]-2-oxoethyl]-3-(diethylsulfamoyl)benzamide;hydrochloride is CCN(CC)S(=O)(=O)c1cccc(C(=O)NCC(=O)NC(C)(C)CN)c1.Cl.
What is the InChIKey of N-[2-[(1-amino-2-methylpropan-2-yl)amino]-2-oxoethyl]-3-(diethylsulfamoyl)benzamide;hydrochloride?
The InChIKey is WZGAJIFXOYGOGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O4S.ClH/c1-5-21(6-2)26(24,25)14-9-7-8-13(10-14)16(23)19-11-15(22)20-17(3,4)12-18;/h7-10H,5-6,11-12,18H2,1-4H3,(H,19,23)(H,20,22);1H.
What are the key properties of N-[2-[(1-amino-2-methylpropan-2-yl)amino]-2-oxoethyl]-3-(diethylsulfamoyl)benzamide;hydrochloride?
N-[2-[(1-amino-2-methylpropan-2-yl)amino]-2-oxoethyl]-3-(diethylsulfamoyl)benzamide;hydrochloride has a molecular weight of 420.96 g/mol, XLogP of 0.72, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(1-amino-2-methylpropan-2-yl)amino]-2-oxoethyl]-3-(diethylsulfamoyl)benzamide;hydrochloride is sourced from PubChem (CID 119521498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).