N-(1-amino-2-methylpropan-2-yl)-3-[methyl-(4-methylphenyl)sulfamoyl]benzamide

C19H25N3O3S — CID 119521508

IUPACN-(1-amino-2-methylpropan-2-yl)-3-[methyl-(4-methylphenyl)sulfamoyl]benzamide
SMILESCc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)NC(C)(C)CN)c2)cc1
InChIInChI=1S/C19H25N3O3S/c1-14-8-10-16(11-9-14)22(4)26(24,25)17-7-5-6-15(12-17)18(23)21-19(2,3)13-20/h5-12H,13,20H2,1-4H3,(H,21,23)
InChIKeySSBMXDVOLMAKHR-UHFFFAOYSA-N
MW375.49 g/mol
LogP2.29
Rot. Bonds6

About N-(1-amino-2-methylpropan-2-yl)-3-[methyl-(4-methylphenyl)sulfamoyl]benzamide

N-(1-amino-2-methylpropan-2-yl)-3-[methyl-(4-methylphenyl)sulfamoyl]benzamide (PubChem CID 119521508) has the molecular formula C19H25N3O3S and a molecular weight of 375.49 g/mol. Its IUPAC name is N-(1-amino-2-methylpropan-2-yl)-3-[methyl-(4-methylphenyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-(1-amino-2-methylpropan-2-yl)-3-[methyl-(4-methylphenyl)sulfamoyl]benzamide
PubChem CID119521508
Molecular FormulaC19H25N3O3S
Molecular Weight375.49 g/mol
Exact Mass375.16
IUPAC NameN-(1-amino-2-methylpropan-2-yl)-3-[methyl-(4-methylphenyl)sulfamoyl]benzamide
SMILESCc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)NC(C)(C)CN)c2)cc1
InChIInChI=1S/C19H25N3O3S/c1-14-8-10-16(11-9-14)22(4)26(24,25)17-7-5-6-15(12-17)18(23)21-19(2,3)13-20/h5-12H,13,20H2,1-4H3,(H,21,23)
InChIKeySSBMXDVOLMAKHR-UHFFFAOYSA-N
XLogP2.29
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 ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-tert-butyl-3-[methyl-(4-methylphenyl)sulfamoyl]benzamide
CID 2670988
N-(1-amino-2-methylpropan-2-yl)-3-[(3-chlorophenyl)-methylsulfamoyl]benzamide;hydrochloride
CID 119522322
N-tert-butyl-3-[methyl(phenyl)sulfamoyl]benzamide
CID 4963740
N-[2-(dimethylamino)-2-oxoethyl]-3-[methyl-(4-methylphenyl)sulfamoyl]benzamide
CID 9480630
methyl 3-[methyl-(4-methylphenyl)sulfamoyl]benzoate
CID 9273487
N-(3-methylbutyl)-3-[methyl-(4-methylphenyl)sulfamoyl]benzamide
CID 2677261
N-methyl-N-(4-methylphenyl)-3-[(pyridine-4-carbonylamino)carbamoyl]benzenesulfonamide
CID 25163438
N-(3-hydroxyphenyl)-3-[methyl-(4-methylphenyl)sulfamoyl]benzamide
CID 78783087
3-[methyl-(4-methylphenyl)sulfamoyl]-N-(2-pyrrolidin-1-ium-1-ylethyl)benzamide
CID 8531259
3-[methyl-(4-methylphenyl)sulfamoyl]-N-[2-(4-methylphenoxy)ethyl]benzamide
CID 38448547
3-[methyl-(4-methylphenyl)sulfamoyl]-N-(thiophen-2-ylmethyl)benzamide
CID 7751591
N-(1-amino-2-methylpropan-2-yl)-3-methylbenzamide;hydrochloride
CID 119523789

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-methylpropan-2-yl)-3-[methyl-(4-methylphenyl)sulfamoyl]benzamide?
The IUPAC name of N-(1-amino-2-methylpropan-2-yl)-3-[methyl-(4-methylphenyl)sulfamoyl]benzamide (CID 119521508) is N-(1-amino-2-methylpropan-2-yl)-3-[methyl-(4-methylphenyl)sulfamoyl]benzamide.
What is the SMILES notation for N-(1-amino-2-methylpropan-2-yl)-3-[methyl-(4-methylphenyl)sulfamoyl]benzamide?
The canonical SMILES for N-(1-amino-2-methylpropan-2-yl)-3-[methyl-(4-methylphenyl)sulfamoyl]benzamide is Cc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)NC(C)(C)CN)c2)cc1.
What is the InChIKey of N-(1-amino-2-methylpropan-2-yl)-3-[methyl-(4-methylphenyl)sulfamoyl]benzamide?
The InChIKey is SSBMXDVOLMAKHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3S/c1-14-8-10-16(11-9-14)22(4)26(24,25)17-7-5-6-15(12-17)18(23)21-19(2,3)13-20/h5-12H,13,20H2,1-4H3,(H,21,23).
What are the key properties of N-(1-amino-2-methylpropan-2-yl)-3-[methyl-(4-methylphenyl)sulfamoyl]benzamide?
N-(1-amino-2-methylpropan-2-yl)-3-[methyl-(4-methylphenyl)sulfamoyl]benzamide has a molecular weight of 375.49 g/mol, XLogP of 2.29, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-methylpropan-2-yl)-3-[methyl-(4-methylphenyl)sulfamoyl]benzamide is sourced from PubChem (CID 119521508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).