N-(5-amino-2-methylphenyl)-5-(diethylsulfamoyl)-2-methylbenzamide

C19H25N3O3S — CID 120569164

IUPACN-(5-amino-2-methylphenyl)-5-(diethylsulfamoyl)-2-methylbenzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)Nc2cc(N)ccc2C)c1
InChIInChI=1S/C19H25N3O3S/c1-5-22(6-2)26(24,25)16-10-8-13(3)17(12-16)19(23)21-18-11-15(20)9-7-14(18)4/h7-12H,5-6,20H2,1-4H3,(H,21,23)
InChIKeyJWQXZIAWZWPZHG-UHFFFAOYSA-N
MW375.49 g/mol
LogP3.17
Rot. Bonds6

About N-(5-amino-2-methylphenyl)-5-(diethylsulfamoyl)-2-methylbenzamide

N-(5-amino-2-methylphenyl)-5-(diethylsulfamoyl)-2-methylbenzamide (PubChem CID 120569164) has the molecular formula C19H25N3O3S and a molecular weight of 375.49 g/mol. Its IUPAC name is N-(5-amino-2-methylphenyl)-5-(diethylsulfamoyl)-2-methylbenzamide.

Molecular Properties

Compound NameN-(5-amino-2-methylphenyl)-5-(diethylsulfamoyl)-2-methylbenzamide
PubChem CID120569164
Molecular FormulaC19H25N3O3S
Molecular Weight375.49 g/mol
Exact Mass375.16
IUPAC NameN-(5-amino-2-methylphenyl)-5-(diethylsulfamoyl)-2-methylbenzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)Nc2cc(N)ccc2C)c1
InChIInChI=1S/C19H25N3O3S/c1-5-22(6-2)26(24,25)16-10-8-13(3)17(12-16)19(23)21-18-11-15(20)9-7-14(18)4/h7-12H,5-6,20H2,1-4H3,(H,21,23)
InChIKeyJWQXZIAWZWPZHG-UHFFFAOYSA-N
XLogP3.17
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.49
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(5-amino-2-methylphenyl)-4-(diethylsulfamoyl)benzamide
CID 28867137
N-(2-bromo-4-methylphenyl)-5-(diethylsulfamoyl)-2-methylbenzamide
CID 26524150
5-(diethylsulfamoyl)-2-methyl-N-(4-methylphenyl)benzamide
CID 8760171
N-(2-aminoethyl)-5-(diethylsulfamoyl)-2-methylbenzamide
CID 119382998
5-(diethylsulfamoyl)-N-(2-methoxyphenyl)-2-methylbenzamide
CID 2994373
5-(diethylsulfamoyl)-N-(2,5-dimethylphenyl)-2-methoxybenzamide
CID 19257768
N-(4-carbamoyl-3-methylphenyl)-5-(diethylsulfamoyl)-2-methylbenzamide
CID 56518335
2-chloro-N-[5-(diethylsulfamoyl)-2-methylphenyl]acetamide
CID 3606084
N-(3-aminobutyl)-5-(diethylsulfamoyl)-2-methylbenzamide
CID 119496133
5-(diethylsulfamoyl)-2-methylbenzoyl chloride
CID 15639076
5-(diethylsulfamoyl)-2-methyl-N-pyridin-3-ylbenzamide
CID 2993264
N-(5-amino-2-methylphenyl)-2-methyl-5-piperidin-1-ylsulfonylbenzamide;hydrochloride
CID 120568671

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-methylphenyl)-5-(diethylsulfamoyl)-2-methylbenzamide?
The IUPAC name of N-(5-amino-2-methylphenyl)-5-(diethylsulfamoyl)-2-methylbenzamide (CID 120569164) is N-(5-amino-2-methylphenyl)-5-(diethylsulfamoyl)-2-methylbenzamide.
What is the SMILES notation for N-(5-amino-2-methylphenyl)-5-(diethylsulfamoyl)-2-methylbenzamide?
The canonical SMILES for N-(5-amino-2-methylphenyl)-5-(diethylsulfamoyl)-2-methylbenzamide is CCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)Nc2cc(N)ccc2C)c1.
What is the InChIKey of N-(5-amino-2-methylphenyl)-5-(diethylsulfamoyl)-2-methylbenzamide?
The InChIKey is JWQXZIAWZWPZHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3S/c1-5-22(6-2)26(24,25)16-10-8-13(3)17(12-16)19(23)21-18-11-15(20)9-7-14(18)4/h7-12H,5-6,20H2,1-4H3,(H,21,23).
What are the key properties of N-(5-amino-2-methylphenyl)-5-(diethylsulfamoyl)-2-methylbenzamide?
N-(5-amino-2-methylphenyl)-5-(diethylsulfamoyl)-2-methylbenzamide has a molecular weight of 375.49 g/mol, XLogP of 3.17, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2-methylphenyl)-5-(diethylsulfamoyl)-2-methylbenzamide is sourced from PubChem (CID 120569164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).