N-(3-hydroxy-2-methylpropyl)-4-(propan-2-ylsulfamoyl)benzamide

C14H22N2O4S — CID 65031709

IUPACN-(3-hydroxy-2-methylpropyl)-4-(propan-2-ylsulfamoyl)benzamide
SMILESCC(CO)CNC(=O)c1ccc(S(=O)(=O)NC(C)C)cc1
InChIInChI=1S/C14H22N2O4S/c1-10(2)16-21(19,20)13-6-4-12(5-7-13)14(18)15-8-11(3)9-17/h4-7,10-11,16-17H,8-9H2,1-3H3,(H,15,18)
InChIKeyFSMMOSNWKKDJHT-UHFFFAOYSA-N
MW314.41 g/mol
LogP0.73
Rot. Bonds7

About N-(3-hydroxy-2-methylpropyl)-4-(propan-2-ylsulfamoyl)benzamide

N-(3-hydroxy-2-methylpropyl)-4-(propan-2-ylsulfamoyl)benzamide (PubChem CID 65031709) has the molecular formula C14H22N2O4S and a molecular weight of 314.41 g/mol. Its IUPAC name is N-(3-hydroxy-2-methylpropyl)-4-(propan-2-ylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(3-hydroxy-2-methylpropyl)-4-(propan-2-ylsulfamoyl)benzamide
PubChem CID65031709
Molecular FormulaC14H22N2O4S
Molecular Weight314.41 g/mol
Exact Mass314.13
IUPAC NameN-(3-hydroxy-2-methylpropyl)-4-(propan-2-ylsulfamoyl)benzamide
SMILESCC(CO)CNC(=O)c1ccc(S(=O)(=O)NC(C)C)cc1
InChIInChI=1S/C14H22N2O4S/c1-10(2)16-21(19,20)13-6-4-12(5-7-13)14(18)15-8-11(3)9-17/h4-7,10-11,16-17H,8-9H2,1-3H3,(H,15,18)
InChIKeyFSMMOSNWKKDJHT-UHFFFAOYSA-N
XLogP0.73
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 50.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-3-[[4-(propan-2-ylsulfamoyl)benzoyl]amino]propanoic acid
CID 119237016
4-(dimethylsulfamoyl)-N-(3-hydroxy-2-methylpropyl)benzamide
CID 65031807
N-[2-[di(propan-2-yl)amino]ethyl]-4-(propan-2-ylsulfamoyl)benzamide
CID 24560133
N-[(2R)-1-hydroxybutan-2-yl]-4-(propan-2-ylsulfamoyl)benzamide
CID 103920276
N-(3-hydroxy-2-methylpropyl)-4-(methylsulfonylmethyl)benzamide
CID 65031706
N-butan-2-yl-4-(propan-2-ylsulfamoyl)benzamide
CID 51160695
cyanomethyl 2-[[4-(propan-2-ylsulfamoyl)benzoyl]amino]acetate
CID 7979636
N-[2-oxo-2-[[(2R)-2-phenylpropyl]amino]ethyl]-4-(propan-2-ylsulfamoyl)benzamide
CID 9427293
4-propanoyl-N-propan-2-ylbenzenesulfonamide
CID 70931286
N-(3-hydroxy-2-methylpropyl)pyridine-4-carboxamide
CID 65031932
N-[(2-fluorophenyl)methyl]-4-(propan-2-ylsulfamoyl)benzamide
CID 26887031
N-[[4-(dimethylsulfamoyl)phenyl]methyl]-4-(propan-2-ylsulfamoyl)benzamide
CID 55812377

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-2-methylpropyl)-4-(propan-2-ylsulfamoyl)benzamide?
The IUPAC name of N-(3-hydroxy-2-methylpropyl)-4-(propan-2-ylsulfamoyl)benzamide (CID 65031709) is N-(3-hydroxy-2-methylpropyl)-4-(propan-2-ylsulfamoyl)benzamide.
What is the SMILES notation for N-(3-hydroxy-2-methylpropyl)-4-(propan-2-ylsulfamoyl)benzamide?
The canonical SMILES for N-(3-hydroxy-2-methylpropyl)-4-(propan-2-ylsulfamoyl)benzamide is CC(CO)CNC(=O)c1ccc(S(=O)(=O)NC(C)C)cc1.
What is the InChIKey of N-(3-hydroxy-2-methylpropyl)-4-(propan-2-ylsulfamoyl)benzamide?
The InChIKey is FSMMOSNWKKDJHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4S/c1-10(2)16-21(19,20)13-6-4-12(5-7-13)14(18)15-8-11(3)9-17/h4-7,10-11,16-17H,8-9H2,1-3H3,(H,15,18).
What are the key properties of N-(3-hydroxy-2-methylpropyl)-4-(propan-2-ylsulfamoyl)benzamide?
N-(3-hydroxy-2-methylpropyl)-4-(propan-2-ylsulfamoyl)benzamide has a molecular weight of 314.41 g/mol, XLogP of 0.73, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-2-methylpropyl)-4-(propan-2-ylsulfamoyl)benzamide is sourced from PubChem (CID 65031709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).