N-[2-(ethylaminomethyl)phenyl]-5-(ethylsulfamoyl)-2-methylbenzamide;hydrochloride

C19H26ClN3O3S — CID 119438950

IUPACN-[2-(ethylaminomethyl)phenyl]-5-(ethylsulfamoyl)-2-methylbenzamide;hydrochloride
SMILESCCNCc1ccccc1NC(=O)c1cc(S(=O)(=O)NCC)ccc1C.Cl
InChIInChI=1S/C19H25N3O3S.ClH/c1-4-20-13-15-8-6-7-9-18(15)22-19(23)17-12-16(11-10-14(17)3)26(24,25)21-5-2;/h6-12,20-21H,4-5,13H2,1-3H3,(H,22,23);1H
InChIKeyFBXAQKBTGKZNIW-UHFFFAOYSA-N
MW411.96 g/mol
LogP3.08
Rot. Bonds8

About N-[2-(ethylaminomethyl)phenyl]-5-(ethylsulfamoyl)-2-methylbenzamide;hydrochloride

N-[2-(ethylaminomethyl)phenyl]-5-(ethylsulfamoyl)-2-methylbenzamide;hydrochloride (PubChem CID 119438950) has the molecular formula C19H26ClN3O3S and a molecular weight of 411.96 g/mol. Its IUPAC name is N-[2-(ethylaminomethyl)phenyl]-5-(ethylsulfamoyl)-2-methylbenzamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(ethylaminomethyl)phenyl]-5-(ethylsulfamoyl)-2-methylbenzamide;hydrochloride
PubChem CID119438950
Molecular FormulaC19H26ClN3O3S
Molecular Weight411.96 g/mol
Exact Mass411.14
IUPAC NameN-[2-(ethylaminomethyl)phenyl]-5-(ethylsulfamoyl)-2-methylbenzamide;hydrochloride
SMILESCCNCc1ccccc1NC(=O)c1cc(S(=O)(=O)NCC)ccc1C.Cl
InChIInChI=1S/C19H25N3O3S.ClH/c1-4-20-13-15-8-6-7-9-18(15)22-19(23)17-12-16(11-10-14(17)3)26(24,25)21-5-2;/h6-12,20-21H,4-5,13H2,1-3H3,(H,22,23);1H
InChIKeyFBXAQKBTGKZNIW-UHFFFAOYSA-N
XLogP3.08
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.96
LogP ≤ 53.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(ethylaminomethyl)phenyl]-5-(ethylsulfamoyl)-2-methylbenzamide
CID 119438951
N-(2-chlorophenyl)-5-(ethylsulfamoyl)-2-methylbenzamide
CID 35345609
N-[2-[(4-tert-butylbenzoyl)amino]phenyl]-5-(ethylsulfamoyl)-2-methylbenzamide
CID 31971087
5-bromo-N-[2-(ethylaminomethyl)phenyl]-2-methylbenzamide
CID 65311478
N-(5-chloro-2-methylphenyl)-5-(ethylsulfamoyl)-2-methylbenzamide
CID 43007142
5-(ethylsulfamoyl)-N,2-dimethylbenzamide
CID 6461284
N-[2-(4-ethoxyphenoxy)phenyl]-5-(ethylsulfamoyl)-2-methylbenzamide
CID 39971961
N-[2-(ethylaminomethyl)phenyl]-4-(2-methoxyethylsulfamoyl)benzamide;hydrochloride
CID 119439653
N-[2-(ethylaminomethyl)phenyl]-4-(2-methylpropylsulfamoyl)benzamide
CID 119439947
N-[2-(ethylaminomethyl)phenyl]-2,5-difluoro-4-methylbenzamide
CID 84589201
N-[2-(ethylaminomethyl)phenyl]-3,4-dimethylbenzamide;hydrochloride
CID 119440699
5-(benzylsulfamoyl)-N-(2-chlorophenyl)-2-methylbenzamide
CID 30281742

Frequently Asked Questions

What is the IUPAC name of N-[2-(ethylaminomethyl)phenyl]-5-(ethylsulfamoyl)-2-methylbenzamide;hydrochloride?
The IUPAC name of N-[2-(ethylaminomethyl)phenyl]-5-(ethylsulfamoyl)-2-methylbenzamide;hydrochloride (CID 119438950) is N-[2-(ethylaminomethyl)phenyl]-5-(ethylsulfamoyl)-2-methylbenzamide;hydrochloride.
What is the SMILES notation for N-[2-(ethylaminomethyl)phenyl]-5-(ethylsulfamoyl)-2-methylbenzamide;hydrochloride?
The canonical SMILES for N-[2-(ethylaminomethyl)phenyl]-5-(ethylsulfamoyl)-2-methylbenzamide;hydrochloride is CCNCc1ccccc1NC(=O)c1cc(S(=O)(=O)NCC)ccc1C.Cl.
What is the InChIKey of N-[2-(ethylaminomethyl)phenyl]-5-(ethylsulfamoyl)-2-methylbenzamide;hydrochloride?
The InChIKey is FBXAQKBTGKZNIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3S.ClH/c1-4-20-13-15-8-6-7-9-18(15)22-19(23)17-12-16(11-10-14(17)3)26(24,25)21-5-2;/h6-12,20-21H,4-5,13H2,1-3H3,(H,22,23);1H.
What are the key properties of N-[2-(ethylaminomethyl)phenyl]-5-(ethylsulfamoyl)-2-methylbenzamide;hydrochloride?
N-[2-(ethylaminomethyl)phenyl]-5-(ethylsulfamoyl)-2-methylbenzamide;hydrochloride has a molecular weight of 411.96 g/mol, XLogP of 3.08, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(ethylaminomethyl)phenyl]-5-(ethylsulfamoyl)-2-methylbenzamide;hydrochloride is sourced from PubChem (CID 119438950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).