4-[(4-ethoxyphenyl)sulfonylamino]-N-[2-(methylamino)propyl]benzamide;hydrochloride

C19H26ClN3O4S — CID 120829034

IUPAC4-[(4-ethoxyphenyl)sulfonylamino]-N-[2-(methylamino)propyl]benzamide;hydrochloride
SMILESCCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCC(C)NC)cc2)cc1.Cl
InChIInChI=1S/C19H25N3O4S.ClH/c1-4-26-17-9-11-18(12-10-17)27(24,25)22-16-7-5-15(6-8-16)19(23)21-13-14(2)20-3;/h5-12,14,20,22H,4,13H2,1-3H3,(H,21,23);1H
InChIKeyQZAPSTWWPQOTJE-UHFFFAOYSA-N
MW427.95 g/mol
LogP2.65
Rot. Bonds9

About 4-[(4-ethoxyphenyl)sulfonylamino]-N-[2-(methylamino)propyl]benzamide;hydrochloride

4-[(4-ethoxyphenyl)sulfonylamino]-N-[2-(methylamino)propyl]benzamide;hydrochloride (PubChem CID 120829034) has the molecular formula C19H26ClN3O4S and a molecular weight of 427.95 g/mol. Its IUPAC name is 4-[(4-ethoxyphenyl)sulfonylamino]-N-[2-(methylamino)propyl]benzamide;hydrochloride.

Molecular Properties

Compound Name4-[(4-ethoxyphenyl)sulfonylamino]-N-[2-(methylamino)propyl]benzamide;hydrochloride
PubChem CID120829034
Molecular FormulaC19H26ClN3O4S
Molecular Weight427.95 g/mol
Exact Mass427.13
IUPAC Name4-[(4-ethoxyphenyl)sulfonylamino]-N-[2-(methylamino)propyl]benzamide;hydrochloride
SMILESCCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCC(C)NC)cc2)cc1.Cl
InChIInChI=1S/C19H25N3O4S.ClH/c1-4-26-17-9-11-18(12-10-17)27(24,25)22-16-7-5-15(6-8-16)19(23)21-13-14(2)20-3;/h5-12,14,20,22H,4,13H2,1-3H3,(H,21,23);1H
InChIKeyQZAPSTWWPQOTJE-UHFFFAOYSA-N
XLogP2.65
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.95
LogP ≤ 52.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(4-ethoxyphenyl)sulfonylamino]-N-[2-(hydroxymethyl)-4-methylpentyl]benzamide
CID 119037028
4-[(4-ethoxyphenyl)sulfonylamino]-N-pentan-2-ylbenzamide
CID 43018756
4-[(4-ethoxyphenyl)sulfamoyl]-N-prop-2-enylbenzamide
CID 9419122
N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-4-(2-methylpropoxy)benzamide
CID 4937097
N-[2-(diethylamino)ethyl]-4-[(4-ethoxyphenyl)sulfonylamino]benzamide
CID 4853767
N-[(2R)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-4-[(4-ethoxyphenyl)sulfamoyl]benzamide
CID 27796134
methyl 4-[[4-[(4-ethoxyphenyl)sulfamoyl]benzoyl]amino]butanoate
CID 18109760
N-(1-aminopropan-2-yl)-4-[(4-ethoxyphenyl)sulfonylamino]-N-methylbenzamide;hydrochloride
CID 119584302
4-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-[2-(methylamino)propyl]benzamide
CID 120833202
4-ethoxy-N-[4-(phenylsulfamoyl)phenyl]benzamide
CID 4948543
4-[(4-ethoxyphenyl)sulfonylamino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 26871354
4-[(4-ethoxyphenyl)sulfamoyl]-N-methyl-N-(2-methylpropyl)benzamide
CID 134063378

Frequently Asked Questions

What is the IUPAC name of 4-[(4-ethoxyphenyl)sulfonylamino]-N-[2-(methylamino)propyl]benzamide;hydrochloride?
The IUPAC name of 4-[(4-ethoxyphenyl)sulfonylamino]-N-[2-(methylamino)propyl]benzamide;hydrochloride (CID 120829034) is 4-[(4-ethoxyphenyl)sulfonylamino]-N-[2-(methylamino)propyl]benzamide;hydrochloride.
What is the SMILES notation for 4-[(4-ethoxyphenyl)sulfonylamino]-N-[2-(methylamino)propyl]benzamide;hydrochloride?
The canonical SMILES for 4-[(4-ethoxyphenyl)sulfonylamino]-N-[2-(methylamino)propyl]benzamide;hydrochloride is CCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCC(C)NC)cc2)cc1.Cl.
What is the InChIKey of 4-[(4-ethoxyphenyl)sulfonylamino]-N-[2-(methylamino)propyl]benzamide;hydrochloride?
The InChIKey is QZAPSTWWPQOTJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O4S.ClH/c1-4-26-17-9-11-18(12-10-17)27(24,25)22-16-7-5-15(6-8-16)19(23)21-13-14(2)20-3;/h5-12,14,20,22H,4,13H2,1-3H3,(H,21,23);1H.
What are the key properties of 4-[(4-ethoxyphenyl)sulfonylamino]-N-[2-(methylamino)propyl]benzamide;hydrochloride?
4-[(4-ethoxyphenyl)sulfonylamino]-N-[2-(methylamino)propyl]benzamide;hydrochloride has a molecular weight of 427.95 g/mol, XLogP of 2.65, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-ethoxyphenyl)sulfonylamino]-N-[2-(methylamino)propyl]benzamide;hydrochloride is sourced from PubChem (CID 120829034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).