N-[2-(ethylaminomethyl)phenyl]-4-methoxy-3-(methylsulfamoyl)benzamide;hydrochloride

C18H24ClN3O4S — CID 119440173

IUPACN-[2-(ethylaminomethyl)phenyl]-4-methoxy-3-(methylsulfamoyl)benzamide;hydrochloride
SMILESCCNCc1ccccc1NC(=O)c1ccc(OC)c(S(=O)(=O)NC)c1.Cl
InChIInChI=1S/C18H23N3O4S.ClH/c1-4-20-12-14-7-5-6-8-15(14)21-18(22)13-9-10-16(25-3)17(11-13)26(23,24)19-2;/h5-11,19-20H,4,12H2,1-3H3,(H,21,22);1H
InChIKeyXYJGQYFZIVANTG-UHFFFAOYSA-N
MW413.93 g/mol
LogP2.39
Rot. Bonds8

About N-[2-(ethylaminomethyl)phenyl]-4-methoxy-3-(methylsulfamoyl)benzamide;hydrochloride

N-[2-(ethylaminomethyl)phenyl]-4-methoxy-3-(methylsulfamoyl)benzamide;hydrochloride (PubChem CID 119440173) has the molecular formula C18H24ClN3O4S and a molecular weight of 413.93 g/mol. Its IUPAC name is N-[2-(ethylaminomethyl)phenyl]-4-methoxy-3-(methylsulfamoyl)benzamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(ethylaminomethyl)phenyl]-4-methoxy-3-(methylsulfamoyl)benzamide;hydrochloride
PubChem CID119440173
Molecular FormulaC18H24ClN3O4S
Molecular Weight413.93 g/mol
Exact Mass413.12
IUPAC NameN-[2-(ethylaminomethyl)phenyl]-4-methoxy-3-(methylsulfamoyl)benzamide;hydrochloride
SMILESCCNCc1ccccc1NC(=O)c1ccc(OC)c(S(=O)(=O)NC)c1.Cl
InChIInChI=1S/C18H23N3O4S.ClH/c1-4-20-12-14-7-5-6-8-15(14)21-18(22)13-9-10-16(25-3)17(11-13)26(23,24)19-2;/h5-11,19-20H,4,12H2,1-3H3,(H,21,22);1H
InChIKeyXYJGQYFZIVANTG-UHFFFAOYSA-N
XLogP2.39
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
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

N-[2-(ethylaminomethyl)phenyl]-3-methoxy-4-[2-(methylamino)-2-oxoethoxy]benzamide
CID 119439139
3-(ethylsulfamoyl)-4-methoxy-N-[2-(trifluoromethyl)phenyl]benzamide
CID 45373661
N-[2-(ethylaminomethyl)phenyl]-3-methoxy-4-prop-2-enoxybenzamide
CID 119440436
3,4-diethoxy-N-[2-(ethylaminomethyl)phenyl]benzamide
CID 119438964
3-[(4-chlorophenyl)methylsulfamoyl]-N-(2-ethylphenyl)-4-methoxybenzamide
CID 55525275
N-[2-(ethylaminomethyl)phenyl]-3,4-dimethylbenzamide;hydrochloride
CID 119440699
5-(hydrazinecarbonyl)-2-methoxy-N-methylbenzenesulfonamide
CID 45373547
N-[2-(ethylaminomethyl)phenyl]-3,5-dimethoxybenzamide
CID 119438730
N-(2-benzylphenyl)-3-(diethylsulfamoyl)-4-methoxybenzamide
CID 26880143
4-methoxy-3-(methylsulfamoyl)-N-(2,3,4-trifluorophenyl)benzamide
CID 28557684
4-methoxy-3-(methylsulfamoyl)-N-[(2R)-4-phenylbutan-2-yl]benzamide
CID 40742244
N-[2-(ethylaminomethyl)phenyl]-4-(2-methoxyethylsulfamoyl)benzamide;hydrochloride
CID 119439653

Frequently Asked Questions

What is the IUPAC name of N-[2-(ethylaminomethyl)phenyl]-4-methoxy-3-(methylsulfamoyl)benzamide;hydrochloride?
The IUPAC name of N-[2-(ethylaminomethyl)phenyl]-4-methoxy-3-(methylsulfamoyl)benzamide;hydrochloride (CID 119440173) is N-[2-(ethylaminomethyl)phenyl]-4-methoxy-3-(methylsulfamoyl)benzamide;hydrochloride.
What is the SMILES notation for N-[2-(ethylaminomethyl)phenyl]-4-methoxy-3-(methylsulfamoyl)benzamide;hydrochloride?
The canonical SMILES for N-[2-(ethylaminomethyl)phenyl]-4-methoxy-3-(methylsulfamoyl)benzamide;hydrochloride is CCNCc1ccccc1NC(=O)c1ccc(OC)c(S(=O)(=O)NC)c1.Cl.
What is the InChIKey of N-[2-(ethylaminomethyl)phenyl]-4-methoxy-3-(methylsulfamoyl)benzamide;hydrochloride?
The InChIKey is XYJGQYFZIVANTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O4S.ClH/c1-4-20-12-14-7-5-6-8-15(14)21-18(22)13-9-10-16(25-3)17(11-13)26(23,24)19-2;/h5-11,19-20H,4,12H2,1-3H3,(H,21,22);1H.
What are the key properties of N-[2-(ethylaminomethyl)phenyl]-4-methoxy-3-(methylsulfamoyl)benzamide;hydrochloride?
N-[2-(ethylaminomethyl)phenyl]-4-methoxy-3-(methylsulfamoyl)benzamide;hydrochloride has a molecular weight of 413.93 g/mol, XLogP of 2.39, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(ethylaminomethyl)phenyl]-4-methoxy-3-(methylsulfamoyl)benzamide;hydrochloride is sourced from PubChem (CID 119440173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).