N-[3-(2-aminoethylsulfamoyl)phenyl]-3-propoxybenzamide;hydrochloride

C18H24ClN3O4S — CID 119465892

IUPACN-[3-(2-aminoethylsulfamoyl)phenyl]-3-propoxybenzamide;hydrochloride
SMILESCCCOc1cccc(C(=O)Nc2cccc(S(=O)(=O)NCCN)c2)c1.Cl
InChIInChI=1S/C18H23N3O4S.ClH/c1-2-11-25-16-7-3-5-14(12-16)18(22)21-15-6-4-8-17(13-15)26(23,24)20-10-9-19;/h3-8,12-13,20H,2,9-11,19H2,1H3,(H,21,22);1H
InChIKeyJQMMEWMCAMCIMZ-UHFFFAOYSA-N
MW413.93 g/mol
LogP2.39
Rot. Bonds9

About N-[3-(2-aminoethylsulfamoyl)phenyl]-3-propoxybenzamide;hydrochloride

N-[3-(2-aminoethylsulfamoyl)phenyl]-3-propoxybenzamide;hydrochloride (PubChem CID 119465892) has the molecular formula C18H24ClN3O4S and a molecular weight of 413.93 g/mol. Its IUPAC name is N-[3-(2-aminoethylsulfamoyl)phenyl]-3-propoxybenzamide;hydrochloride.

Molecular Properties

Compound NameN-[3-(2-aminoethylsulfamoyl)phenyl]-3-propoxybenzamide;hydrochloride
PubChem CID119465892
Molecular FormulaC18H24ClN3O4S
Molecular Weight413.93 g/mol
Exact Mass413.12
IUPAC NameN-[3-(2-aminoethylsulfamoyl)phenyl]-3-propoxybenzamide;hydrochloride
SMILESCCCOc1cccc(C(=O)Nc2cccc(S(=O)(=O)NCCN)c2)c1.Cl
InChIInChI=1S/C18H23N3O4S.ClH/c1-2-11-25-16-7-3-5-14(12-16)18(22)21-15-6-4-8-17(13-15)26(23,24)20-10-9-19;/h3-8,12-13,20H,2,9-11,19H2,1H3,(H,21,22);1H
InChIKeyJQMMEWMCAMCIMZ-UHFFFAOYSA-N
XLogP2.39
TPSA110.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.93
LogP ≤ 52.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-ethoxy-N-(3-propoxyphenyl)benzamide
CID 17096771
N-(4-methyl-3-sulfamoylphenyl)-3-propoxybenzamide
CID 87002439
3-(2-methoxyethylsulfamoyl)-N-(3-methoxyphenyl)benzamide
CID 55565688
N-(2-aminoethyl)-3-ethoxybenzenesulfonamide;hydrochloride
CID 120998864
N-propan-2-yl-3-[(3-propoxybenzoyl)amino]benzamide
CID 17197490
N-[3-(2-aminoethylsulfamoyl)phenyl]-4-(ethylsulfanylmethyl)benzamide
CID 119465571
methyl 3-[[3-(propylsulfamoyl)benzoyl]amino]benzoate
CID 109061963
3-(3-methylbutoxy)-N-(3-propoxyphenyl)benzamide
CID 17096779
3-(2-methylpropoxy)-N-(3-propoxyphenyl)benzamide
CID 17140377
N-(3-bromo-4-methylphenyl)-3-propoxybenzamide
CID 63529162
3-acetyl-N-(2-aminoethyl)benzenesulfonamide;hydrochloride
CID 119960312
N-[3-(2-aminoethylsulfamoyl)phenyl]-6-(dimethylamino)pyridine-3-carboxamide
CID 119465589

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-aminoethylsulfamoyl)phenyl]-3-propoxybenzamide;hydrochloride?
The IUPAC name of N-[3-(2-aminoethylsulfamoyl)phenyl]-3-propoxybenzamide;hydrochloride (CID 119465892) is N-[3-(2-aminoethylsulfamoyl)phenyl]-3-propoxybenzamide;hydrochloride.
What is the SMILES notation for N-[3-(2-aminoethylsulfamoyl)phenyl]-3-propoxybenzamide;hydrochloride?
The canonical SMILES for N-[3-(2-aminoethylsulfamoyl)phenyl]-3-propoxybenzamide;hydrochloride is CCCOc1cccc(C(=O)Nc2cccc(S(=O)(=O)NCCN)c2)c1.Cl.
What is the InChIKey of N-[3-(2-aminoethylsulfamoyl)phenyl]-3-propoxybenzamide;hydrochloride?
The InChIKey is JQMMEWMCAMCIMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O4S.ClH/c1-2-11-25-16-7-3-5-14(12-16)18(22)21-15-6-4-8-17(13-15)26(23,24)20-10-9-19;/h3-8,12-13,20H,2,9-11,19H2,1H3,(H,21,22);1H.
What are the key properties of N-[3-(2-aminoethylsulfamoyl)phenyl]-3-propoxybenzamide;hydrochloride?
N-[3-(2-aminoethylsulfamoyl)phenyl]-3-propoxybenzamide;hydrochloride has a molecular weight of 413.93 g/mol, XLogP of 2.39, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-aminoethylsulfamoyl)phenyl]-3-propoxybenzamide;hydrochloride is sourced from PubChem (CID 119465892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).