N-(1-hydroxy-2-methylpropan-2-yl)-4-(methanesulfonamido)benzamide

C12H18N2O4S — CID 43392916

IUPACN-(1-hydroxy-2-methylpropan-2-yl)-4-(methanesulfonamido)benzamide
SMILESCC(C)(CO)NC(=O)c1ccc(NS(C)(=O)=O)cc1
InChIInChI=1S/C12H18N2O4S/c1-12(2,8-15)13-11(16)9-4-6-10(7-5-9)14-19(3,17)18/h4-7,14-15H,8H2,1-3H3,(H,13,16)
InChIKeySYHVYRTUHKXERU-UHFFFAOYSA-N
MW286.35 g/mol
LogP0.56
Rot. Bonds5

About N-(1-hydroxy-2-methylpropan-2-yl)-4-(methanesulfonamido)benzamide

N-(1-hydroxy-2-methylpropan-2-yl)-4-(methanesulfonamido)benzamide (PubChem CID 43392916) has the molecular formula C12H18N2O4S and a molecular weight of 286.35 g/mol. Its IUPAC name is N-(1-hydroxy-2-methylpropan-2-yl)-4-(methanesulfonamido)benzamide.

Molecular Properties

Compound NameN-(1-hydroxy-2-methylpropan-2-yl)-4-(methanesulfonamido)benzamide
PubChem CID43392916
Molecular FormulaC12H18N2O4S
Molecular Weight286.35 g/mol
Exact Mass286.10
IUPAC NameN-(1-hydroxy-2-methylpropan-2-yl)-4-(methanesulfonamido)benzamide
SMILESCC(C)(CO)NC(=O)c1ccc(NS(C)(=O)=O)cc1
InChIInChI=1S/C12H18N2O4S/c1-12(2,8-15)13-11(16)9-4-6-10(7-5-9)14-19(3,17)18/h4-7,14-15H,8H2,1-3H3,(H,13,16)
InChIKeySYHVYRTUHKXERU-UHFFFAOYSA-N
XLogP0.56
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 50.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(2,2-dimethylpropanoyl)phenyl]methanesulfonamide
CID 43161143
4-chloro-N-(1-hydroxy-2-methylpropan-2-yl)-3-methylsulfonylbenzamide
CID 43500892
N-(1-hydroxy-2-methylpropan-2-yl)-4-(pyrimidin-2-ylamino)benzamide
CID 86207276
N-(4-iodophenyl)-4-(methanesulfonamido)benzamide
CID 1289280
N-[1-(hydroxymethyl)cyclobutyl]-4-(methanesulfonamido)benzamide
CID 115877995
4-[(4-chlorophenyl)sulfonylamino]-N-(2-methylbutan-2-yl)benzamide
CID 94621798
4-chloro-N-(1-hydroxy-2-methylpropan-2-yl)-3-sulfamoylbenzamide
CID 70598414
N-[[1-(hydroxymethyl)cyclopropyl]methyl]-4-(methanesulfonamido)benzamide
CID 80717767
N-(2-bromoprop-2-enyl)-4-(methanesulfonamido)benzamide
CID 47438805
1-(4-acetylphenyl)-3-[4-(methanesulfonamido)phenyl]urea
CID 108875225
methyl 4-[[4-(methanesulfonamido)benzoyl]amino]benzoate
CID 967516
4-hydroxy-N-(1-hydroxy-2-methylpropan-2-yl)-3-methylbenzamide
CID 103957694

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-2-methylpropan-2-yl)-4-(methanesulfonamido)benzamide?
The IUPAC name of N-(1-hydroxy-2-methylpropan-2-yl)-4-(methanesulfonamido)benzamide (CID 43392916) is N-(1-hydroxy-2-methylpropan-2-yl)-4-(methanesulfonamido)benzamide.
What is the SMILES notation for N-(1-hydroxy-2-methylpropan-2-yl)-4-(methanesulfonamido)benzamide?
The canonical SMILES for N-(1-hydroxy-2-methylpropan-2-yl)-4-(methanesulfonamido)benzamide is CC(C)(CO)NC(=O)c1ccc(NS(C)(=O)=O)cc1.
What is the InChIKey of N-(1-hydroxy-2-methylpropan-2-yl)-4-(methanesulfonamido)benzamide?
The InChIKey is SYHVYRTUHKXERU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4S/c1-12(2,8-15)13-11(16)9-4-6-10(7-5-9)14-19(3,17)18/h4-7,14-15H,8H2,1-3H3,(H,13,16).
What are the key properties of N-(1-hydroxy-2-methylpropan-2-yl)-4-(methanesulfonamido)benzamide?
N-(1-hydroxy-2-methylpropan-2-yl)-4-(methanesulfonamido)benzamide has a molecular weight of 286.35 g/mol, XLogP of 0.56, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-2-methylpropan-2-yl)-4-(methanesulfonamido)benzamide is sourced from PubChem (CID 43392916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).