N-[4-[(3-hydroxy-4,4-dimethylpentyl)sulfamoyl]phenyl]-2-methylpropanamide

C17H28N2O4S — CID 90523543

IUPACN-[4-[(3-hydroxy-4,4-dimethylpentyl)sulfamoyl]phenyl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1ccc(S(=O)(=O)NCCC(O)C(C)(C)C)cc1
InChIInChI=1S/C17H28N2O4S/c1-12(2)16(21)19-13-6-8-14(9-7-13)24(22,23)18-11-10-15(20)17(3,4)5/h6-9,12,15,18,20H,10-11H2,1-5H3,(H,19,21)
InChIKeyAIVNDJSHGDDVFT-UHFFFAOYSA-N
MW356.49 g/mol
LogP2.36
Rot. Bonds7

About N-[4-[(3-hydroxy-4,4-dimethylpentyl)sulfamoyl]phenyl]-2-methylpropanamide

N-[4-[(3-hydroxy-4,4-dimethylpentyl)sulfamoyl]phenyl]-2-methylpropanamide (PubChem CID 90523543) has the molecular formula C17H28N2O4S and a molecular weight of 356.49 g/mol. Its IUPAC name is N-[4-[(3-hydroxy-4,4-dimethylpentyl)sulfamoyl]phenyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[4-[(3-hydroxy-4,4-dimethylpentyl)sulfamoyl]phenyl]-2-methylpropanamide
PubChem CID90523543
Molecular FormulaC17H28N2O4S
Molecular Weight356.49 g/mol
Exact Mass356.18
IUPAC NameN-[4-[(3-hydroxy-4,4-dimethylpentyl)sulfamoyl]phenyl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1ccc(S(=O)(=O)NCCC(O)C(C)(C)C)cc1
InChIInChI=1S/C17H28N2O4S/c1-12(2)16(21)19-13-6-8-14(9-7-13)24(22,23)18-11-10-15(20)17(3,4)5/h6-9,12,15,18,20H,10-11H2,1-5H3,(H,19,21)
InChIKeyAIVNDJSHGDDVFT-UHFFFAOYSA-N
XLogP2.36
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.49
LogP ≤ 52.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-acetyl-N-(3-hydroxy-4,4-dimethylpentyl)benzenesulfonamide
CID 90523493
tert-butyl 2-[[4-(2-methylpropanoylamino)phenyl]sulfonylamino]acetate
CID 22456229
N-(3-hydroxy-4,4-dimethylpentyl)-3,4-dimethylbenzenesulfonamide
CID 71787611
2-methyl-N-[4-(prop-2-enylsulfamoyl)phenyl]propanamide
CID 6467571
2-methyl-N-[4-(methylsulfamoyl)phenyl]propanamide
CID 17069914
N-[4-[[2-hydroxy-2-(4-phenylphenyl)propyl]sulfamoyl]phenyl]-2-methylpropanamide
CID 90497581
3-acetyl-N-(3-hydroxy-4,4-dimethylpentyl)benzenesulfonamide
CID 90523494
N-(3-hydroxy-4,4-dimethylpentyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 90523518
2,2-dichloro-N-[4-(hexylsulfamoyl)phenyl]acetamide
CID 3354024
2-methyl-N-[4-[(4-propan-2-ylphenyl)sulfonylamino]phenyl]propanamide
CID 26965637
2-methyl-N-[4-[(1-methylpiperidin-4-yl)methylsulfamoyl]phenyl]propanamide
CID 16887477
4-(3-methylbutylsulfamoyl)-N-(4-methylphenyl)benzamide
CID 109061279

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3-hydroxy-4,4-dimethylpentyl)sulfamoyl]phenyl]-2-methylpropanamide?
The IUPAC name of N-[4-[(3-hydroxy-4,4-dimethylpentyl)sulfamoyl]phenyl]-2-methylpropanamide (CID 90523543) is N-[4-[(3-hydroxy-4,4-dimethylpentyl)sulfamoyl]phenyl]-2-methylpropanamide.
What is the SMILES notation for N-[4-[(3-hydroxy-4,4-dimethylpentyl)sulfamoyl]phenyl]-2-methylpropanamide?
The canonical SMILES for N-[4-[(3-hydroxy-4,4-dimethylpentyl)sulfamoyl]phenyl]-2-methylpropanamide is CC(C)C(=O)Nc1ccc(S(=O)(=O)NCCC(O)C(C)(C)C)cc1.
What is the InChIKey of N-[4-[(3-hydroxy-4,4-dimethylpentyl)sulfamoyl]phenyl]-2-methylpropanamide?
The InChIKey is AIVNDJSHGDDVFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O4S/c1-12(2)16(21)19-13-6-8-14(9-7-13)24(22,23)18-11-10-15(20)17(3,4)5/h6-9,12,15,18,20H,10-11H2,1-5H3,(H,19,21).
What are the key properties of N-[4-[(3-hydroxy-4,4-dimethylpentyl)sulfamoyl]phenyl]-2-methylpropanamide?
N-[4-[(3-hydroxy-4,4-dimethylpentyl)sulfamoyl]phenyl]-2-methylpropanamide has a molecular weight of 356.49 g/mol, XLogP of 2.36, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3-hydroxy-4,4-dimethylpentyl)sulfamoyl]phenyl]-2-methylpropanamide is sourced from PubChem (CID 90523543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).