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

C19H25N3O3S — CID 119438951

IUPACN-[2-(ethylaminomethyl)phenyl]-5-(ethylsulfamoyl)-2-methylbenzamide
SMILESCCNCc1ccccc1NC(=O)c1cc(S(=O)(=O)NCC)ccc1C
InChIInChI=1S/C19H25N3O3S/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)
InChIKeyUTCXIHLKECNNKQ-UHFFFAOYSA-N
MW375.49 g/mol
LogP2.66
Rot. Bonds8

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

N-[2-(ethylaminomethyl)phenyl]-5-(ethylsulfamoyl)-2-methylbenzamide (PubChem CID 119438951) has the molecular formula C19H25N3O3S and a molecular weight of 375.49 g/mol. Its IUPAC name is N-[2-(ethylaminomethyl)phenyl]-5-(ethylsulfamoyl)-2-methylbenzamide.

Molecular Properties

Compound NameN-[2-(ethylaminomethyl)phenyl]-5-(ethylsulfamoyl)-2-methylbenzamide
PubChem CID119438951
Molecular FormulaC19H25N3O3S
Molecular Weight375.49 g/mol
Exact Mass375.16
IUPAC NameN-[2-(ethylaminomethyl)phenyl]-5-(ethylsulfamoyl)-2-methylbenzamide
SMILESCCNCc1ccccc1NC(=O)c1cc(S(=O)(=O)NCC)ccc1C
InChIInChI=1S/C19H25N3O3S/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)
InChIKeyUTCXIHLKECNNKQ-UHFFFAOYSA-N
XLogP2.66
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.49
LogP ≤ 52.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(ethylaminomethyl)phenyl]-5-(ethylsulfamoyl)-2-methylbenzamide;hydrochloride
CID 119438950
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-methylpropylsulfamoyl)benzamide
CID 119439947
N-[2-(ethylaminomethyl)phenyl]-2,5-difluoro-4-methylbenzamide
CID 84589201
5-(benzylsulfamoyl)-N-(2-chlorophenyl)-2-methylbenzamide
CID 30281742
N-[2-(ethylaminomethyl)phenyl]-3-(2-methoxyethylsulfamoyl)benzamide
CID 119438772
5-(ethylsulfamoyl)-2-methyl-N-(3-methyl-2-pyridinyl)benzamide
CID 35033520

Frequently Asked Questions

What is the IUPAC name of N-[2-(ethylaminomethyl)phenyl]-5-(ethylsulfamoyl)-2-methylbenzamide?
The IUPAC name of N-[2-(ethylaminomethyl)phenyl]-5-(ethylsulfamoyl)-2-methylbenzamide (CID 119438951) is N-[2-(ethylaminomethyl)phenyl]-5-(ethylsulfamoyl)-2-methylbenzamide.
What is the SMILES notation for N-[2-(ethylaminomethyl)phenyl]-5-(ethylsulfamoyl)-2-methylbenzamide?
The canonical SMILES for N-[2-(ethylaminomethyl)phenyl]-5-(ethylsulfamoyl)-2-methylbenzamide is CCNCc1ccccc1NC(=O)c1cc(S(=O)(=O)NCC)ccc1C.
What is the InChIKey of N-[2-(ethylaminomethyl)phenyl]-5-(ethylsulfamoyl)-2-methylbenzamide?
The InChIKey is UTCXIHLKECNNKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3S/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).
What are the key properties of N-[2-(ethylaminomethyl)phenyl]-5-(ethylsulfamoyl)-2-methylbenzamide?
N-[2-(ethylaminomethyl)phenyl]-5-(ethylsulfamoyl)-2-methylbenzamide has a molecular weight of 375.49 g/mol, XLogP of 2.66, 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 is sourced from PubChem (CID 119438951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).