3-[(5-tert-butyl-2-methylphenyl)sulfonylamino]-N-[(2-methylpyrimidin-4-yl)methyl]benzamide

C24H28N4O3S — CID 55947245

IUPAC3-[(5-tert-butyl-2-methylphenyl)sulfonylamino]-N-[(2-methylpyrimidin-4-yl)methyl]benzamide
SMILESCc1nccc(CNC(=O)c2cccc(NS(=O)(=O)c3cc(C(C)(C)C)ccc3C)c2)n1
InChIInChI=1S/C24H28N4O3S/c1-16-9-10-19(24(3,4)5)14-22(16)32(30,31)28-20-8-6-7-18(13-20)23(29)26-15-21-11-12-25-17(2)27-21/h6-14,28H,15H2,1-5H3,(H,26,29)
InChIKeyFFZUNASKOZJUDC-UHFFFAOYSA-N
MW452.58 g/mol
LogP4.12
Rot. Bonds6

About 3-[(5-tert-butyl-2-methylphenyl)sulfonylamino]-N-[(2-methylpyrimidin-4-yl)methyl]benzamide

3-[(5-tert-butyl-2-methylphenyl)sulfonylamino]-N-[(2-methylpyrimidin-4-yl)methyl]benzamide (PubChem CID 55947245) has the molecular formula C24H28N4O3S and a molecular weight of 452.58 g/mol. Its IUPAC name is 3-[(5-tert-butyl-2-methylphenyl)sulfonylamino]-N-[(2-methylpyrimidin-4-yl)methyl]benzamide.

Molecular Properties

Compound Name3-[(5-tert-butyl-2-methylphenyl)sulfonylamino]-N-[(2-methylpyrimidin-4-yl)methyl]benzamide
PubChem CID55947245
Molecular FormulaC24H28N4O3S
Molecular Weight452.58 g/mol
Exact Mass452.19
IUPAC Name3-[(5-tert-butyl-2-methylphenyl)sulfonylamino]-N-[(2-methylpyrimidin-4-yl)methyl]benzamide
SMILESCc1nccc(CNC(=O)c2cccc(NS(=O)(=O)c3cc(C(C)(C)C)ccc3C)c2)n1
InChIInChI=1S/C24H28N4O3S/c1-16-9-10-19(24(3,4)5)14-22(16)32(30,31)28-20-8-6-7-18(13-20)23(29)26-15-21-11-12-25-17(2)27-21/h6-14,28H,15H2,1-5H3,(H,26,29)
InChIKeyFFZUNASKOZJUDC-UHFFFAOYSA-N
XLogP4.12
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.58
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-tert-butyl-2-methyl-N-[3-[(pyridine-3-carbonylamino)carbamoyl]phenyl]benzenesulfonamide
CID 37119295
N-(2-amino-2-methylpropyl)-3-[(2,5-dimethylphenyl)sulfonylamino]benzamide
CID 119629709
3-[(5-chloro-2,4-dimethoxyphenyl)sulfamoyl]-4-methyl-N-[(2-methylpyrimidin-4-yl)methyl]benzamide
CID 55948650
3-bromo-4-methyl-N-[(2-methylpyrimidin-4-yl)methyl]benzamide
CID 79467462
3-[[4-[(5-tert-butyl-2-methylphenyl)sulfonylamino]benzoyl]amino]-N,N-dimethylbenzamide
CID 46520009
3-[[[3-[(2,5-dimethylphenyl)sulfonylamino]benzoyl]amino]methyl]-N-methylbenzamide
CID 32914434
3-[(3,4-dimethylphenyl)sulfamoyl]-N-(pyridin-2-ylmethyl)benzamide
CID 109064830
3-[(2,5-dimethylphenyl)sulfonylamino]-N-[2-(methylamino)ethyl]benzamide;hydrochloride
CID 119503479
3-[(2,5-dimethylphenyl)sulfonylamino]-N-[(2R)-2-hydroxy-2-methylbutyl]benzamide
CID 95783231
2-bromo-N-[(2-methylpyrimidin-4-yl)methyl]pyridine-4-carboxamide
CID 103752547
3-[(2,5-dimethylphenyl)sulfonylamino]-N-(3-methylbutyl)benzamide
CID 30686518
N-(2-amino-2-methylpropyl)-4-methyl-3-[(3-methylphenyl)sulfamoyl]benzamide;hydrochloride
CID 119627677

Frequently Asked Questions

What is the IUPAC name of 3-[(5-tert-butyl-2-methylphenyl)sulfonylamino]-N-[(2-methylpyrimidin-4-yl)methyl]benzamide?
The IUPAC name of 3-[(5-tert-butyl-2-methylphenyl)sulfonylamino]-N-[(2-methylpyrimidin-4-yl)methyl]benzamide (CID 55947245) is 3-[(5-tert-butyl-2-methylphenyl)sulfonylamino]-N-[(2-methylpyrimidin-4-yl)methyl]benzamide.
What is the SMILES notation for 3-[(5-tert-butyl-2-methylphenyl)sulfonylamino]-N-[(2-methylpyrimidin-4-yl)methyl]benzamide?
The canonical SMILES for 3-[(5-tert-butyl-2-methylphenyl)sulfonylamino]-N-[(2-methylpyrimidin-4-yl)methyl]benzamide is Cc1nccc(CNC(=O)c2cccc(NS(=O)(=O)c3cc(C(C)(C)C)ccc3C)c2)n1.
What is the InChIKey of 3-[(5-tert-butyl-2-methylphenyl)sulfonylamino]-N-[(2-methylpyrimidin-4-yl)methyl]benzamide?
The InChIKey is FFZUNASKOZJUDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O3S/c1-16-9-10-19(24(3,4)5)14-22(16)32(30,31)28-20-8-6-7-18(13-20)23(29)26-15-21-11-12-25-17(2)27-21/h6-14,28H,15H2,1-5H3,(H,26,29).
What are the key properties of 3-[(5-tert-butyl-2-methylphenyl)sulfonylamino]-N-[(2-methylpyrimidin-4-yl)methyl]benzamide?
3-[(5-tert-butyl-2-methylphenyl)sulfonylamino]-N-[(2-methylpyrimidin-4-yl)methyl]benzamide has a molecular weight of 452.58 g/mol, XLogP of 4.12, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-tert-butyl-2-methylphenyl)sulfonylamino]-N-[(2-methylpyrimidin-4-yl)methyl]benzamide is sourced from PubChem (CID 55947245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).