N-(3-acetylphenyl)-4-[dimethylsulfamoyl(methyl)amino]benzamide

C18H21N3O4S — CID 92664202

IUPACN-(3-acetylphenyl)-4-[dimethylsulfamoyl(methyl)amino]benzamide
SMILESCC(=O)c1cccc(NC(=O)c2ccc(N(C)S(=O)(=O)N(C)C)cc2)c1
InChIInChI=1S/C18H21N3O4S/c1-13(22)15-6-5-7-16(12-15)19-18(23)14-8-10-17(11-9-14)21(4)26(24,25)20(2)3/h5-12H,1-4H3,(H,19,23)
InChIKeyJFHXMBVLGVJMRL-UHFFFAOYSA-N
MW375.45 g/mol
LogP2.38
Rot. Bonds6

About N-(3-acetylphenyl)-4-[dimethylsulfamoyl(methyl)amino]benzamide

N-(3-acetylphenyl)-4-[dimethylsulfamoyl(methyl)amino]benzamide (PubChem CID 92664202) has the molecular formula C18H21N3O4S and a molecular weight of 375.45 g/mol. Its IUPAC name is N-(3-acetylphenyl)-4-[dimethylsulfamoyl(methyl)amino]benzamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-4-[dimethylsulfamoyl(methyl)amino]benzamide
PubChem CID92664202
Molecular FormulaC18H21N3O4S
Molecular Weight375.45 g/mol
Exact Mass375.13
IUPAC NameN-(3-acetylphenyl)-4-[dimethylsulfamoyl(methyl)amino]benzamide
SMILESCC(=O)c1cccc(NC(=O)c2ccc(N(C)S(=O)(=O)N(C)C)cc2)c1
InChIInChI=1S/C18H21N3O4S/c1-13(22)15-6-5-7-16(12-15)19-18(23)14-8-10-17(11-9-14)21(4)26(24,25)20(2)3/h5-12H,1-4H3,(H,19,23)
InChIKeyJFHXMBVLGVJMRL-UHFFFAOYSA-N
XLogP2.38
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.45
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[dimethylsulfamoyl(methyl)amino]-N-phenylbenzamide
CID 53283335
4-[methyl(methylsulfonyl)amino]-N-[3-[methyl(methylsulfonyl)amino]phenyl]benzamide
CID 1006597
N-(4-chlorophenyl)-4-[dimethylsulfamoyl(methyl)amino]benzamide
CID 13322356
N-(3-acetylphenyl)-3-(dimethylamino)benzamide
CID 7922589
N-(3-bromophenyl)-4-[ethylsulfonyl(methyl)amino]benzamide
CID 8991381
N-(3-acetylphenyl)-4-tert-butylbenzamide
CID 722882
4-[dimethylsulfamoyl(methyl)amino]-N-[4-[(3-methylphenyl)sulfamoyl]phenyl]benzamide
CID 18891060
4-[dimethylsulfamoyl(methyl)amino]-N-(4-ethylphenyl)benzamide
CID 53283203
4-[dimethylsulfamoyl(methyl)amino]-N-(4-propan-2-ylphenyl)benzamide
CID 53283134
N-(3-chloro-4-methoxyphenyl)-4-[dimethylsulfamoyl(methyl)amino]benzamide
CID 92664148
3-[(4-acetamidobenzoyl)amino]-N,N-dimethylbenzamide
CID 134037398
4-tert-butyl-N-[3-[[4-[ethylsulfonyl(methyl)amino]benzoyl]amino]phenyl]benzamide
CID 99956067

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-4-[dimethylsulfamoyl(methyl)amino]benzamide?
The IUPAC name of N-(3-acetylphenyl)-4-[dimethylsulfamoyl(methyl)amino]benzamide (CID 92664202) is N-(3-acetylphenyl)-4-[dimethylsulfamoyl(methyl)amino]benzamide.
What is the SMILES notation for N-(3-acetylphenyl)-4-[dimethylsulfamoyl(methyl)amino]benzamide?
The canonical SMILES for N-(3-acetylphenyl)-4-[dimethylsulfamoyl(methyl)amino]benzamide is CC(=O)c1cccc(NC(=O)c2ccc(N(C)S(=O)(=O)N(C)C)cc2)c1.
What is the InChIKey of N-(3-acetylphenyl)-4-[dimethylsulfamoyl(methyl)amino]benzamide?
The InChIKey is JFHXMBVLGVJMRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O4S/c1-13(22)15-6-5-7-16(12-15)19-18(23)14-8-10-17(11-9-14)21(4)26(24,25)20(2)3/h5-12H,1-4H3,(H,19,23).
What are the key properties of N-(3-acetylphenyl)-4-[dimethylsulfamoyl(methyl)amino]benzamide?
N-(3-acetylphenyl)-4-[dimethylsulfamoyl(methyl)amino]benzamide has a molecular weight of 375.45 g/mol, XLogP of 2.38, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-4-[dimethylsulfamoyl(methyl)amino]benzamide is sourced from PubChem (CID 92664202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).