2-amino-N-[3-(diethylsulfamoyl)-4-methylphenyl]benzamide

C18H23N3O3S — CID 119943661

IUPAC2-amino-N-[3-(diethylsulfamoyl)-4-methylphenyl]benzamide
SMILESCCN(CC)S(=O)(=O)c1cc(NC(=O)c2ccccc2N)ccc1C
InChIInChI=1S/C18H23N3O3S/c1-4-21(5-2)25(23,24)17-12-14(11-10-13(17)3)20-18(22)15-8-6-7-9-16(15)19/h6-12H,4-5,19H2,1-3H3,(H,20,22)
InChIKeyMBZBYQKLURIPTR-UHFFFAOYSA-N
MW361.47 g/mol
LogP2.86
Rot. Bonds6

About 2-amino-N-[3-(diethylsulfamoyl)-4-methylphenyl]benzamide

2-amino-N-[3-(diethylsulfamoyl)-4-methylphenyl]benzamide (PubChem CID 119943661) has the molecular formula C18H23N3O3S and a molecular weight of 361.47 g/mol. Its IUPAC name is 2-amino-N-[3-(diethylsulfamoyl)-4-methylphenyl]benzamide.

Molecular Properties

Compound Name2-amino-N-[3-(diethylsulfamoyl)-4-methylphenyl]benzamide
PubChem CID119943661
Molecular FormulaC18H23N3O3S
Molecular Weight361.47 g/mol
Exact Mass361.15
IUPAC Name2-amino-N-[3-(diethylsulfamoyl)-4-methylphenyl]benzamide
SMILESCCN(CC)S(=O)(=O)c1cc(NC(=O)c2ccccc2N)ccc1C
InChIInChI=1S/C18H23N3O3S/c1-4-21(5-2)25(23,24)17-12-14(11-10-13(17)3)20-18(22)15-8-6-7-9-16(15)19/h6-12H,4-5,19H2,1-3H3,(H,20,22)
InChIKeyMBZBYQKLURIPTR-UHFFFAOYSA-N
XLogP2.86
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 52.86
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-[3-(diethylsulfamoyl)-4-methylphenyl]-2-methylsulfanylbenzamide
CID 26521121
N-[3-(diethylsulfamoyl)-4-methylphenyl]-2,5-dimethylbenzamide
CID 7929076
N-[3-(diethylsulfamoyl)-4-methylphenyl]-2,5-dimethylfuran-3-carboxamide
CID 26521292
N-[3-(diethylsulfamoyl)-4-methylphenyl]naphthalene-2-carboxamide
CID 18285223
4-[[3-(diethylsulfamoyl)-4-methylphenyl]carbamoyl]benzoic acid
CID 45337189
N-[3-(diethylsulfamoyl)-4-methylphenyl]-1H-indazole-7-carboxamide
CID 36771575
N-[3-(diethylsulfamoyl)-4-methylphenyl]-4-oxochromene-2-carboxamide
CID 25443449
N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-piperidin-1-ylpyridine-3-carboxamide
CID 46489174
3-(diethylsulfamoyl)-4-methyl-N-(3-methylphenyl)benzamide
CID 2540395
2-amino-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)benzamide
CID 119943663
N-[3-(diethylsulfamoyl)-4-methylphenyl]-1-phenylpyrazole-3-carboxamide
CID 39898710
N-(3-amino-4-methoxyphenyl)-3-(diethylsulfamoyl)-4-methylbenzamide
CID 119420241

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[3-(diethylsulfamoyl)-4-methylphenyl]benzamide?
The IUPAC name of 2-amino-N-[3-(diethylsulfamoyl)-4-methylphenyl]benzamide (CID 119943661) is 2-amino-N-[3-(diethylsulfamoyl)-4-methylphenyl]benzamide.
What is the SMILES notation for 2-amino-N-[3-(diethylsulfamoyl)-4-methylphenyl]benzamide?
The canonical SMILES for 2-amino-N-[3-(diethylsulfamoyl)-4-methylphenyl]benzamide is CCN(CC)S(=O)(=O)c1cc(NC(=O)c2ccccc2N)ccc1C.
What is the InChIKey of 2-amino-N-[3-(diethylsulfamoyl)-4-methylphenyl]benzamide?
The InChIKey is MBZBYQKLURIPTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3S/c1-4-21(5-2)25(23,24)17-12-14(11-10-13(17)3)20-18(22)15-8-6-7-9-16(15)19/h6-12H,4-5,19H2,1-3H3,(H,20,22).
What are the key properties of 2-amino-N-[3-(diethylsulfamoyl)-4-methylphenyl]benzamide?
2-amino-N-[3-(diethylsulfamoyl)-4-methylphenyl]benzamide has a molecular weight of 361.47 g/mol, XLogP of 2.86, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[3-(diethylsulfamoyl)-4-methylphenyl]benzamide is sourced from PubChem (CID 119943661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).