3-[(2,5-dimethylphenyl)sulfonylamino]-N-[(2R)-2-hydroxy-2-methylbutyl]benzamide

C20H26N2O4S — CID 95783231

IUPAC3-[(2,5-dimethylphenyl)sulfonylamino]-N-[(2R)-2-hydroxy-2-methylbutyl]benzamide
SMILESCC[C@@](C)(O)CNC(=O)c1cccc(NS(=O)(=O)c2cc(C)ccc2C)c1
InChIInChI=1S/C20H26N2O4S/c1-5-20(4,24)13-21-19(23)16-7-6-8-17(12-16)22-27(25,26)18-11-14(2)9-10-15(18)3/h6-12,22,24H,5,13H2,1-4H3,(H,21,23)/t20-/m1/s1
InChIKeyHPMPEOQNQNABSZ-HXUWFJFHSA-N
MW390.51 g/mol
LogP3.00
Rot. Bonds7

About 3-[(2,5-dimethylphenyl)sulfonylamino]-N-[(2R)-2-hydroxy-2-methylbutyl]benzamide

3-[(2,5-dimethylphenyl)sulfonylamino]-N-[(2R)-2-hydroxy-2-methylbutyl]benzamide (PubChem CID 95783231) has the molecular formula C20H26N2O4S and a molecular weight of 390.51 g/mol. Its IUPAC name is 3-[(2,5-dimethylphenyl)sulfonylamino]-N-[(2R)-2-hydroxy-2-methylbutyl]benzamide.

Molecular Properties

Compound Name3-[(2,5-dimethylphenyl)sulfonylamino]-N-[(2R)-2-hydroxy-2-methylbutyl]benzamide
PubChem CID95783231
Molecular FormulaC20H26N2O4S
Molecular Weight390.51 g/mol
Exact Mass390.16
IUPAC Name3-[(2,5-dimethylphenyl)sulfonylamino]-N-[(2R)-2-hydroxy-2-methylbutyl]benzamide
SMILESCC[C@@](C)(O)CNC(=O)c1cccc(NS(=O)(=O)c2cc(C)ccc2C)c1
InChIInChI=1S/C20H26N2O4S/c1-5-20(4,24)13-21-19(23)16-7-6-8-17(12-16)22-27(25,26)18-11-14(2)9-10-15(18)3/h6-12,22,24H,5,13H2,1-4H3,(H,21,23)/t20-/m1/s1
InChIKeyHPMPEOQNQNABSZ-HXUWFJFHSA-N
XLogP3.00
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 53.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-amino-2-methylpropyl)-3-[(2,5-dimethylphenyl)sulfonylamino]benzamide
CID 119629709
3-[(2,5-dimethylphenyl)sulfonylamino]-N-[2-(methylamino)ethyl]benzamide;hydrochloride
CID 119503479
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
3-[[[3-[(2,5-dimethylphenyl)sulfonylamino]benzoyl]amino]methyl]-N-methylbenzamide
CID 32914434
N-[2-(ethylamino)ethyl]-4-methyl-3-[(3-methylphenyl)sulfamoyl]benzamide;hydrochloride
CID 119506523
3-[(2,5-dimethylphenyl)sulfonylamino]-N-(3-methylsulfanylphenyl)benzamide
CID 30684354
3-[(2,5-dimethylphenyl)sulfonylamino]-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
CID 31265126
3-[(2,5-dimethylphenyl)sulfonylamino]-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide
CID 27848651
N-(2-amino-2-ethylbutyl)-3-[(3-methylphenyl)sulfamoyl]benzamide;hydrochloride
CID 119640175
3-[(4-fluoro-2-methylphenyl)sulfonylamino]-N-(2,2,2-trifluoroethyl)benzamide
CID 24656490
4-methyl-3-(phenylsulfamoyl)-N-propylbenzamide
CID 126412719

Frequently Asked Questions

What is the IUPAC name of 3-[(2,5-dimethylphenyl)sulfonylamino]-N-[(2R)-2-hydroxy-2-methylbutyl]benzamide?
The IUPAC name of 3-[(2,5-dimethylphenyl)sulfonylamino]-N-[(2R)-2-hydroxy-2-methylbutyl]benzamide (CID 95783231) is 3-[(2,5-dimethylphenyl)sulfonylamino]-N-[(2R)-2-hydroxy-2-methylbutyl]benzamide.
What is the SMILES notation for 3-[(2,5-dimethylphenyl)sulfonylamino]-N-[(2R)-2-hydroxy-2-methylbutyl]benzamide?
The canonical SMILES for 3-[(2,5-dimethylphenyl)sulfonylamino]-N-[(2R)-2-hydroxy-2-methylbutyl]benzamide is CC[C@@](C)(O)CNC(=O)c1cccc(NS(=O)(=O)c2cc(C)ccc2C)c1.
What is the InChIKey of 3-[(2,5-dimethylphenyl)sulfonylamino]-N-[(2R)-2-hydroxy-2-methylbutyl]benzamide?
The InChIKey is HPMPEOQNQNABSZ-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H26N2O4S/c1-5-20(4,24)13-21-19(23)16-7-6-8-17(12-16)22-27(25,26)18-11-14(2)9-10-15(18)3/h6-12,22,24H,5,13H2,1-4H3,(H,21,23)/t20-/m1/s1.
What are the key properties of 3-[(2,5-dimethylphenyl)sulfonylamino]-N-[(2R)-2-hydroxy-2-methylbutyl]benzamide?
3-[(2,5-dimethylphenyl)sulfonylamino]-N-[(2R)-2-hydroxy-2-methylbutyl]benzamide has a molecular weight of 390.51 g/mol, XLogP of 3.00, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,5-dimethylphenyl)sulfonylamino]-N-[(2R)-2-hydroxy-2-methylbutyl]benzamide is sourced from PubChem (CID 95783231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).