N-(1-aminopropan-2-yl)-4-[(4-ethoxyphenyl)sulfonylamino]-N-methylbenzamide;hydrochloride

C19H26ClN3O4S — CID 119584302

IUPACN-(1-aminopropan-2-yl)-4-[(4-ethoxyphenyl)sulfonylamino]-N-methylbenzamide;hydrochloride
SMILESCCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)N(C)C(C)CN)cc2)cc1.Cl
InChIInChI=1S/C19H25N3O4S.ClH/c1-4-26-17-9-11-18(12-10-17)27(24,25)21-16-7-5-15(6-8-16)19(23)22(3)14(2)13-20;/h5-12,14,21H,4,13,20H2,1-3H3;1H
InChIKeyBIMUEZZSPPYJDJ-UHFFFAOYSA-N
MW427.95 g/mol
LogP2.73
Rot. Bonds8

About N-(1-aminopropan-2-yl)-4-[(4-ethoxyphenyl)sulfonylamino]-N-methylbenzamide;hydrochloride

N-(1-aminopropan-2-yl)-4-[(4-ethoxyphenyl)sulfonylamino]-N-methylbenzamide;hydrochloride (PubChem CID 119584302) has the molecular formula C19H26ClN3O4S and a molecular weight of 427.95 g/mol. Its IUPAC name is N-(1-aminopropan-2-yl)-4-[(4-ethoxyphenyl)sulfonylamino]-N-methylbenzamide;hydrochloride.

Molecular Properties

Compound NameN-(1-aminopropan-2-yl)-4-[(4-ethoxyphenyl)sulfonylamino]-N-methylbenzamide;hydrochloride
PubChem CID119584302
Molecular FormulaC19H26ClN3O4S
Molecular Weight427.95 g/mol
Exact Mass427.13
IUPAC NameN-(1-aminopropan-2-yl)-4-[(4-ethoxyphenyl)sulfonylamino]-N-methylbenzamide;hydrochloride
SMILESCCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)N(C)C(C)CN)cc2)cc1.Cl
InChIInChI=1S/C19H25N3O4S.ClH/c1-4-26-17-9-11-18(12-10-17)27(24,25)21-16-7-5-15(6-8-16)19(23)22(3)14(2)13-20;/h5-12,14,21H,4,13,20H2,1-3H3;1H
InChIKeyBIMUEZZSPPYJDJ-UHFFFAOYSA-N
XLogP2.73
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.95
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(4-ethoxyphenyl)sulfamoyl]-N-methyl-N-(2-methylpropyl)benzamide
CID 134063378
N-(1-aminopropan-2-yl)-N-methyl-4-(propan-2-ylsulfamoyl)benzamide;hydrochloride
CID 119584451
4-[(4-ethoxyphenyl)sulfonylamino]-N-[2-(methylamino)propyl]benzamide;hydrochloride
CID 120829034
4-[(4-ethoxyphenyl)sulfamoyl]-N,N-bis(prop-2-enyl)benzamide
CID 35742507
N-(1-amino-2-methylpropan-2-yl)-4-[(4-ethoxyphenyl)sulfamoyl]benzamide;hydrochloride
CID 119524777
N-[2-(diethylamino)ethyl]-4-[(4-ethoxyphenyl)sulfonylamino]benzamide
CID 4853767
N-[2-(tert-butylamino)-2-oxoethyl]-4-[(4-ethoxyphenyl)sulfonylamino]-N-methylbenzamide
CID 24659018
4-ethoxy-N-(4-methoxyphenyl)benzenesulfonamide
CID 4202178
4-[(4-ethoxyphenyl)sulfonylamino]-N-pentan-2-ylbenzamide
CID 43018756
N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-4-(2-methylpropoxy)benzamide
CID 4937097
N-[(2R)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-4-[(4-ethoxyphenyl)sulfamoyl]benzamide
CID 27796134
ethyl N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]carbamate
CID 17147479

Frequently Asked Questions

What is the IUPAC name of N-(1-aminopropan-2-yl)-4-[(4-ethoxyphenyl)sulfonylamino]-N-methylbenzamide;hydrochloride?
The IUPAC name of N-(1-aminopropan-2-yl)-4-[(4-ethoxyphenyl)sulfonylamino]-N-methylbenzamide;hydrochloride (CID 119584302) is N-(1-aminopropan-2-yl)-4-[(4-ethoxyphenyl)sulfonylamino]-N-methylbenzamide;hydrochloride.
What is the SMILES notation for N-(1-aminopropan-2-yl)-4-[(4-ethoxyphenyl)sulfonylamino]-N-methylbenzamide;hydrochloride?
The canonical SMILES for N-(1-aminopropan-2-yl)-4-[(4-ethoxyphenyl)sulfonylamino]-N-methylbenzamide;hydrochloride is CCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)N(C)C(C)CN)cc2)cc1.Cl.
What is the InChIKey of N-(1-aminopropan-2-yl)-4-[(4-ethoxyphenyl)sulfonylamino]-N-methylbenzamide;hydrochloride?
The InChIKey is BIMUEZZSPPYJDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O4S.ClH/c1-4-26-17-9-11-18(12-10-17)27(24,25)21-16-7-5-15(6-8-16)19(23)22(3)14(2)13-20;/h5-12,14,21H,4,13,20H2,1-3H3;1H.
What are the key properties of N-(1-aminopropan-2-yl)-4-[(4-ethoxyphenyl)sulfonylamino]-N-methylbenzamide;hydrochloride?
N-(1-aminopropan-2-yl)-4-[(4-ethoxyphenyl)sulfonylamino]-N-methylbenzamide;hydrochloride has a molecular weight of 427.95 g/mol, XLogP of 2.73, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminopropan-2-yl)-4-[(4-ethoxyphenyl)sulfonylamino]-N-methylbenzamide;hydrochloride is sourced from PubChem (CID 119584302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).