N-[3-[(3-hydroxy-2-methylpropyl)sulfamoyl]-4-methylphenyl]acetamide

C13H20N2O4S — CID 65034115

IUPACN-[3-[(3-hydroxy-2-methylpropyl)sulfamoyl]-4-methylphenyl]acetamide
SMILESCC(=O)Nc1ccc(C)c(S(=O)(=O)NCC(C)CO)c1
InChIInChI=1S/C13H20N2O4S/c1-9(8-16)7-14-20(18,19)13-6-12(15-11(3)17)5-4-10(13)2/h4-6,9,14,16H,7-8H2,1-3H3,(H,15,17)
InChIKeyUCEOYSJXWVJZKZ-UHFFFAOYSA-N
MW300.38 g/mol
LogP0.86
Rot. Bonds6

About N-[3-[(3-hydroxy-2-methylpropyl)sulfamoyl]-4-methylphenyl]acetamide

N-[3-[(3-hydroxy-2-methylpropyl)sulfamoyl]-4-methylphenyl]acetamide (PubChem CID 65034115) has the molecular formula C13H20N2O4S and a molecular weight of 300.38 g/mol. Its IUPAC name is N-[3-[(3-hydroxy-2-methylpropyl)sulfamoyl]-4-methylphenyl]acetamide.

Molecular Properties

Compound NameN-[3-[(3-hydroxy-2-methylpropyl)sulfamoyl]-4-methylphenyl]acetamide
PubChem CID65034115
Molecular FormulaC13H20N2O4S
Molecular Weight300.38 g/mol
Exact Mass300.11
IUPAC NameN-[3-[(3-hydroxy-2-methylpropyl)sulfamoyl]-4-methylphenyl]acetamide
SMILESCC(=O)Nc1ccc(C)c(S(=O)(=O)NCC(C)CO)c1
InChIInChI=1S/C13H20N2O4S/c1-9(8-16)7-14-20(18,19)13-6-12(15-11(3)17)5-4-10(13)2/h4-6,9,14,16H,7-8H2,1-3H3,(H,15,17)
InChIKeyUCEOYSJXWVJZKZ-UHFFFAOYSA-N
XLogP0.86
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 50.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(5-acetamido-2-methylphenyl)sulfonylamino]-2-hydroxypropanoic acid
CID 66165436
N-[3-[(2-amino-2-cyclopropylethyl)sulfamoyl]-4-methylphenyl]acetamide
CID 115301298
N-(4-hydroxy-2-methylbutyl)-2,5-dimethylbenzenesulfonamide
CID 66108868
N-[4-methyl-3-(thiophen-2-ylmethylsulfamoyl)phenyl]acetamide
CID 39792806
N-[3-(furan-2-ylmethylsulfamoyl)-4-methylphenyl]acetamide
CID 39791883
3-[(3-hydroxy-2-methylpropyl)sulfamoyl]-4,5-dimethylbenzoic acid
CID 65033957
N-[3-[2-[4-(difluoromethoxy)phenyl]ethylsulfamoyl]-4-methylphenyl]acetamide
CID 78808557
N-[4-methyl-3-[2-(oxolan-2-yl)ethylsulfamoyl]phenyl]acetamide
CID 51076373
N-[3-[1-(3,4-difluorophenyl)ethylsulfamoyl]-4-methylphenyl]acetamide
CID 78797689
N-[4-[[2-methyl-3-(methylamino)propyl]sulfamoyl]phenyl]acetamide
CID 115302862
N-[4-methyl-3-[[4-(2,2,2-trifluoroethoxy)phenyl]methylsulfamoyl]phenyl]acetamide
CID 31113542
2-chloro-N-[(2R)-3-hydroxy-2-methylpropyl]benzenesulfonamide
CID 96832457

Frequently Asked Questions

What is the IUPAC name of N-[3-[(3-hydroxy-2-methylpropyl)sulfamoyl]-4-methylphenyl]acetamide?
The IUPAC name of N-[3-[(3-hydroxy-2-methylpropyl)sulfamoyl]-4-methylphenyl]acetamide (CID 65034115) is N-[3-[(3-hydroxy-2-methylpropyl)sulfamoyl]-4-methylphenyl]acetamide.
What is the SMILES notation for N-[3-[(3-hydroxy-2-methylpropyl)sulfamoyl]-4-methylphenyl]acetamide?
The canonical SMILES for N-[3-[(3-hydroxy-2-methylpropyl)sulfamoyl]-4-methylphenyl]acetamide is CC(=O)Nc1ccc(C)c(S(=O)(=O)NCC(C)CO)c1.
What is the InChIKey of N-[3-[(3-hydroxy-2-methylpropyl)sulfamoyl]-4-methylphenyl]acetamide?
The InChIKey is UCEOYSJXWVJZKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4S/c1-9(8-16)7-14-20(18,19)13-6-12(15-11(3)17)5-4-10(13)2/h4-6,9,14,16H,7-8H2,1-3H3,(H,15,17).
What are the key properties of N-[3-[(3-hydroxy-2-methylpropyl)sulfamoyl]-4-methylphenyl]acetamide?
N-[3-[(3-hydroxy-2-methylpropyl)sulfamoyl]-4-methylphenyl]acetamide has a molecular weight of 300.38 g/mol, XLogP of 0.86, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3-hydroxy-2-methylpropyl)sulfamoyl]-4-methylphenyl]acetamide is sourced from PubChem (CID 65034115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).