N-(1-amino-2-methylpropan-2-yl)-4-[(4-ethoxyphenyl)sulfamoyl]benzamide;hydrochloride

C19H26ClN3O4S — CID 119524777

IUPACN-(1-amino-2-methylpropan-2-yl)-4-[(4-ethoxyphenyl)sulfamoyl]benzamide;hydrochloride
SMILESCCOc1ccc(NS(=O)(=O)c2ccc(C(=O)NC(C)(C)CN)cc2)cc1.Cl
InChIInChI=1S/C19H25N3O4S.ClH/c1-4-26-16-9-7-15(8-10-16)22-27(24,25)17-11-5-14(6-12-17)18(23)21-19(2,3)13-20;/h5-12,22H,4,13,20H2,1-3H3,(H,21,23);1H
InChIKeyLPBLVWUVOLQUGK-UHFFFAOYSA-N
MW427.95 g/mol
LogP2.78
Rot. Bonds8

About N-(1-amino-2-methylpropan-2-yl)-4-[(4-ethoxyphenyl)sulfamoyl]benzamide;hydrochloride

N-(1-amino-2-methylpropan-2-yl)-4-[(4-ethoxyphenyl)sulfamoyl]benzamide;hydrochloride (PubChem CID 119524777) has the molecular formula C19H26ClN3O4S and a molecular weight of 427.95 g/mol. Its IUPAC name is N-(1-amino-2-methylpropan-2-yl)-4-[(4-ethoxyphenyl)sulfamoyl]benzamide;hydrochloride.

Molecular Properties

Compound NameN-(1-amino-2-methylpropan-2-yl)-4-[(4-ethoxyphenyl)sulfamoyl]benzamide;hydrochloride
PubChem CID119524777
Molecular FormulaC19H26ClN3O4S
Molecular Weight427.95 g/mol
Exact Mass427.13
IUPAC NameN-(1-amino-2-methylpropan-2-yl)-4-[(4-ethoxyphenyl)sulfamoyl]benzamide;hydrochloride
SMILESCCOc1ccc(NS(=O)(=O)c2ccc(C(=O)NC(C)(C)CN)cc2)cc1.Cl
InChIInChI=1S/C19H25N3O4S.ClH/c1-4-26-16-9-7-15(8-10-16)22-27(24,25)17-11-5-14(6-12-17)18(23)21-19(2,3)13-20;/h5-12,22H,4,13,20H2,1-3H3,(H,21,23);1H
InChIKeyLPBLVWUVOLQUGK-UHFFFAOYSA-N
XLogP2.78
TPSA110.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.95
LogP ≤ 52.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-ethoxy-N-[4-(phenylsulfamoyl)phenyl]benzamide
CID 4948543
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CID 24981829
4-[(4-ethoxyphenyl)sulfonylamino]-N-[2-(methylamino)propyl]benzamide;hydrochloride
CID 120829034
N-(1-amino-2-methylpropan-2-yl)-4-ethoxybenzenesulfonamide;hydrochloride
CID 119975728
4-[(4-ethoxyphenyl)sulfamoyl]-N-piperidin-1-ylbenzamide
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4-[(4-ethoxyphenyl)sulfamoyl]-N-prop-2-enylbenzamide
CID 9419122
4-[(4-ethoxyphenyl)sulfonylamino]-N-pentan-2-ylbenzamide
CID 43018756
3-[(4-ethoxyphenyl)sulfamoyl]-4-methyl-N-(2-methylbutan-2-yl)benzamide
CID 43021239
N-(1-aminopropan-2-yl)-4-[(4-ethoxyphenyl)sulfonylamino]-N-methylbenzamide;hydrochloride
CID 119584302
N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-4-(2-methylpropoxy)benzamide
CID 4937097
4-[(4-chlorophenyl)sulfonylamino]-N-(2-methylbutan-2-yl)benzamide
CID 94621798
ethyl N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]carbamate
CID 17147479

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-methylpropan-2-yl)-4-[(4-ethoxyphenyl)sulfamoyl]benzamide;hydrochloride?
The IUPAC name of N-(1-amino-2-methylpropan-2-yl)-4-[(4-ethoxyphenyl)sulfamoyl]benzamide;hydrochloride (CID 119524777) is N-(1-amino-2-methylpropan-2-yl)-4-[(4-ethoxyphenyl)sulfamoyl]benzamide;hydrochloride.
What is the SMILES notation for N-(1-amino-2-methylpropan-2-yl)-4-[(4-ethoxyphenyl)sulfamoyl]benzamide;hydrochloride?
The canonical SMILES for N-(1-amino-2-methylpropan-2-yl)-4-[(4-ethoxyphenyl)sulfamoyl]benzamide;hydrochloride is CCOc1ccc(NS(=O)(=O)c2ccc(C(=O)NC(C)(C)CN)cc2)cc1.Cl.
What is the InChIKey of N-(1-amino-2-methylpropan-2-yl)-4-[(4-ethoxyphenyl)sulfamoyl]benzamide;hydrochloride?
The InChIKey is LPBLVWUVOLQUGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O4S.ClH/c1-4-26-16-9-7-15(8-10-16)22-27(24,25)17-11-5-14(6-12-17)18(23)21-19(2,3)13-20;/h5-12,22H,4,13,20H2,1-3H3,(H,21,23);1H.
What are the key properties of N-(1-amino-2-methylpropan-2-yl)-4-[(4-ethoxyphenyl)sulfamoyl]benzamide;hydrochloride?
N-(1-amino-2-methylpropan-2-yl)-4-[(4-ethoxyphenyl)sulfamoyl]benzamide;hydrochloride has a molecular weight of 427.95 g/mol, XLogP of 2.78, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-methylpropan-2-yl)-4-[(4-ethoxyphenyl)sulfamoyl]benzamide;hydrochloride is sourced from PubChem (CID 119524777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).