N-(3-amino-4-methoxyphenyl)-4-methoxy-3-(propan-2-ylsulfamoyl)benzamide;hydrochloride

C18H24ClN3O5S — CID 119419366

IUPACN-(3-amino-4-methoxyphenyl)-4-methoxy-3-(propan-2-ylsulfamoyl)benzamide;hydrochloride
SMILESCOc1ccc(NC(=O)c2ccc(OC)c(S(=O)(=O)NC(C)C)c2)cc1N.Cl
InChIInChI=1S/C18H23N3O5S.ClH/c1-11(2)21-27(23,24)17-9-12(5-7-16(17)26-4)18(22)20-13-6-8-15(25-3)14(19)10-13;/h5-11,21H,19H2,1-4H3,(H,20,22);1H
InChIKeyVBXZBFGECWPLKA-UHFFFAOYSA-N
MW429.93 g/mol
LogP2.65
Rot. Bonds7

About N-(3-amino-4-methoxyphenyl)-4-methoxy-3-(propan-2-ylsulfamoyl)benzamide;hydrochloride

N-(3-amino-4-methoxyphenyl)-4-methoxy-3-(propan-2-ylsulfamoyl)benzamide;hydrochloride (PubChem CID 119419366) has the molecular formula C18H24ClN3O5S and a molecular weight of 429.93 g/mol. Its IUPAC name is N-(3-amino-4-methoxyphenyl)-4-methoxy-3-(propan-2-ylsulfamoyl)benzamide;hydrochloride.

Molecular Properties

Compound NameN-(3-amino-4-methoxyphenyl)-4-methoxy-3-(propan-2-ylsulfamoyl)benzamide;hydrochloride
PubChem CID119419366
Molecular FormulaC18H24ClN3O5S
Molecular Weight429.93 g/mol
Exact Mass429.11
IUPAC NameN-(3-amino-4-methoxyphenyl)-4-methoxy-3-(propan-2-ylsulfamoyl)benzamide;hydrochloride
SMILESCOc1ccc(NC(=O)c2ccc(OC)c(S(=O)(=O)NC(C)C)c2)cc1N.Cl
InChIInChI=1S/C18H23N3O5S.ClH/c1-11(2)21-27(23,24)17-9-12(5-7-16(17)26-4)18(22)20-13-6-8-15(25-3)14(19)10-13;/h5-11,21H,19H2,1-4H3,(H,20,22);1H
InChIKeyVBXZBFGECWPLKA-UHFFFAOYSA-N
XLogP2.65
TPSA119.75 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.93
LogP ≤ 52.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-methoxy-N-(4-methylsulfonylphenyl)-3-(propan-2-ylsulfamoyl)benzamide
CID 16594690
4-methoxy-N-(3-methylsulfanylphenyl)-3-(propan-2-ylsulfamoyl)benzamide
CID 45373523
N-(4-butylphenyl)-4-methoxy-3-(propan-2-ylsulfamoyl)benzamide
CID 45373539
N-(3-amino-4-methoxyphenyl)-4-(butan-2-ylsulfamoyl)benzamide
CID 119420171
4-methoxy-N-(2-methylphenyl)-3-(propan-2-ylsulfamoyl)benzamide
CID 40742114
N-(9-ethylcarbazol-3-yl)-4-methoxy-3-(propan-2-ylsulfamoyl)benzamide
CID 24538264
N-(3-amino-4-methoxyphenyl)-4-tert-butylbenzamide
CID 18524942
N-(4-bromo-2,6-dimethylphenyl)-4-methoxy-3-(propan-2-ylsulfamoyl)benzamide
CID 100795511
N-(3-amino-4-methoxyphenyl)-3-(diethylsulfamoyl)-4-methylbenzamide
CID 119420241
tert-butyl N-[[4-methoxy-3-(propan-2-ylsulfamoyl)benzoyl]amino]carbamate
CID 22108264
N-(2,5-dichlorophenyl)-4-methoxy-3-(propan-2-ylsulfamoyl)benzamide
CID 40742127
5-[[(4-chlorobenzoyl)amino]carbamoyl]-2-methoxy-N-propan-2-ylbenzenesulfonamide
CID 35158676

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methoxyphenyl)-4-methoxy-3-(propan-2-ylsulfamoyl)benzamide;hydrochloride?
The IUPAC name of N-(3-amino-4-methoxyphenyl)-4-methoxy-3-(propan-2-ylsulfamoyl)benzamide;hydrochloride (CID 119419366) is N-(3-amino-4-methoxyphenyl)-4-methoxy-3-(propan-2-ylsulfamoyl)benzamide;hydrochloride.
What is the SMILES notation for N-(3-amino-4-methoxyphenyl)-4-methoxy-3-(propan-2-ylsulfamoyl)benzamide;hydrochloride?
The canonical SMILES for N-(3-amino-4-methoxyphenyl)-4-methoxy-3-(propan-2-ylsulfamoyl)benzamide;hydrochloride is COc1ccc(NC(=O)c2ccc(OC)c(S(=O)(=O)NC(C)C)c2)cc1N.Cl.
What is the InChIKey of N-(3-amino-4-methoxyphenyl)-4-methoxy-3-(propan-2-ylsulfamoyl)benzamide;hydrochloride?
The InChIKey is VBXZBFGECWPLKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O5S.ClH/c1-11(2)21-27(23,24)17-9-12(5-7-16(17)26-4)18(22)20-13-6-8-15(25-3)14(19)10-13;/h5-11,21H,19H2,1-4H3,(H,20,22);1H.
What are the key properties of N-(3-amino-4-methoxyphenyl)-4-methoxy-3-(propan-2-ylsulfamoyl)benzamide;hydrochloride?
N-(3-amino-4-methoxyphenyl)-4-methoxy-3-(propan-2-ylsulfamoyl)benzamide;hydrochloride has a molecular weight of 429.93 g/mol, XLogP of 2.65, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-methoxyphenyl)-4-methoxy-3-(propan-2-ylsulfamoyl)benzamide;hydrochloride is sourced from PubChem (CID 119419366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).