N-(2-amino-2-methylpropyl)-3-[(2,5-dimethylphenyl)sulfonylamino]benzamide

C19H25N3O3S — CID 119629709

IUPACN-(2-amino-2-methylpropyl)-3-[(2,5-dimethylphenyl)sulfonylamino]benzamide
SMILESCc1ccc(C)c(S(=O)(=O)Nc2cccc(C(=O)NCC(C)(C)N)c2)c1
InChIInChI=1S/C19H25N3O3S/c1-13-8-9-14(2)17(10-13)26(24,25)22-16-7-5-6-15(11-16)18(23)21-12-19(3,4)20/h5-11,22H,12,20H2,1-4H3,(H,21,23)
InChIKeyQZIYRTIALQEOPR-UHFFFAOYSA-N
MW375.49 g/mol
LogP2.57
Rot. Bonds6

About N-(2-amino-2-methylpropyl)-3-[(2,5-dimethylphenyl)sulfonylamino]benzamide

N-(2-amino-2-methylpropyl)-3-[(2,5-dimethylphenyl)sulfonylamino]benzamide (PubChem CID 119629709) has the molecular formula C19H25N3O3S and a molecular weight of 375.49 g/mol. Its IUPAC name is N-(2-amino-2-methylpropyl)-3-[(2,5-dimethylphenyl)sulfonylamino]benzamide.

Molecular Properties

Compound NameN-(2-amino-2-methylpropyl)-3-[(2,5-dimethylphenyl)sulfonylamino]benzamide
PubChem CID119629709
Molecular FormulaC19H25N3O3S
Molecular Weight375.49 g/mol
Exact Mass375.16
IUPAC NameN-(2-amino-2-methylpropyl)-3-[(2,5-dimethylphenyl)sulfonylamino]benzamide
SMILESCc1ccc(C)c(S(=O)(=O)Nc2cccc(C(=O)NCC(C)(C)N)c2)c1
InChIInChI=1S/C19H25N3O3S/c1-13-8-9-14(2)17(10-13)26(24,25)22-16-7-5-6-15(11-16)18(23)21-12-19(3,4)20/h5-11,22H,12,20H2,1-4H3,(H,21,23)
InChIKeyQZIYRTIALQEOPR-UHFFFAOYSA-N
XLogP2.57
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.49
LogP ≤ 52.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-amino-2-methylpropyl)-4-methyl-3-[(3-methylphenyl)sulfamoyl]benzamide;hydrochloride
CID 119627677
3-[(2,5-dimethylphenyl)sulfonylamino]-N-[(2R)-2-hydroxy-2-methylbutyl]benzamide
CID 95783231
3-[(2,5-dimethylphenyl)sulfonylamino]-N-[2-(methylamino)ethyl]benzamide;hydrochloride
CID 119503479
3-[(2,5-dimethylphenyl)sulfonylamino]-N-(3-methylbutyl)benzamide
CID 30686518
3-[[[3-[(2,5-dimethylphenyl)sulfonylamino]benzoyl]amino]methyl]-N-methylbenzamide
CID 32914434
N-(2-amino-2-methylpropyl)-3-[(4-methylphenyl)sulfamoyl]benzamide;hydrochloride
CID 119628934
3-[(2,5-dimethylphenyl)sulfonylamino]-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
CID 31265126
3-[(2,5-dimethylphenyl)sulfonylamino]-N-(3-methylsulfanylphenyl)benzamide
CID 30684354
3-[(2,5-dimethylphenyl)sulfonylamino]-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide
CID 27848651
3-[(2,5-dimethylphenyl)sulfonylamino]-N-(2-methyl-3-nitrophenyl)benzamide
CID 30694649
N-(2-amino-2-ethylbutyl)-3-[(3-methylphenyl)sulfamoyl]benzamide;hydrochloride
CID 119640175
N-[2-(ethylamino)ethyl]-4-methyl-3-[(3-methylphenyl)sulfamoyl]benzamide;hydrochloride
CID 119506523

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-methylpropyl)-3-[(2,5-dimethylphenyl)sulfonylamino]benzamide?
The IUPAC name of N-(2-amino-2-methylpropyl)-3-[(2,5-dimethylphenyl)sulfonylamino]benzamide (CID 119629709) is N-(2-amino-2-methylpropyl)-3-[(2,5-dimethylphenyl)sulfonylamino]benzamide.
What is the SMILES notation for N-(2-amino-2-methylpropyl)-3-[(2,5-dimethylphenyl)sulfonylamino]benzamide?
The canonical SMILES for N-(2-amino-2-methylpropyl)-3-[(2,5-dimethylphenyl)sulfonylamino]benzamide is Cc1ccc(C)c(S(=O)(=O)Nc2cccc(C(=O)NCC(C)(C)N)c2)c1.
What is the InChIKey of N-(2-amino-2-methylpropyl)-3-[(2,5-dimethylphenyl)sulfonylamino]benzamide?
The InChIKey is QZIYRTIALQEOPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3S/c1-13-8-9-14(2)17(10-13)26(24,25)22-16-7-5-6-15(11-16)18(23)21-12-19(3,4)20/h5-11,22H,12,20H2,1-4H3,(H,21,23).
What are the key properties of N-(2-amino-2-methylpropyl)-3-[(2,5-dimethylphenyl)sulfonylamino]benzamide?
N-(2-amino-2-methylpropyl)-3-[(2,5-dimethylphenyl)sulfonylamino]benzamide has a molecular weight of 375.49 g/mol, XLogP of 2.57, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-methylpropyl)-3-[(2,5-dimethylphenyl)sulfonylamino]benzamide is sourced from PubChem (CID 119629709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).