N-[4-(hydroxymethyl)phenyl]-2-methyl-2-methylsulfonylpropanamide

C12H17NO4S — CID 64792642

IUPACN-[4-(hydroxymethyl)phenyl]-2-methyl-2-methylsulfonylpropanamide
SMILESCC(C)(C(=O)Nc1ccc(CO)cc1)S(C)(=O)=O
InChIInChI=1S/C12H17NO4S/c1-12(2,18(3,16)17)11(15)13-10-6-4-9(8-14)5-7-10/h4-7,14H,8H2,1-3H3,(H,13,15)
InChIKeyILUGIMRQSYYEDY-UHFFFAOYSA-N
MW271.34 g/mol
LogP0.94
Rot. Bonds4

About N-[4-(hydroxymethyl)phenyl]-2-methyl-2-methylsulfonylpropanamide

N-[4-(hydroxymethyl)phenyl]-2-methyl-2-methylsulfonylpropanamide (PubChem CID 64792642) has the molecular formula C12H17NO4S and a molecular weight of 271.34 g/mol. Its IUPAC name is N-[4-(hydroxymethyl)phenyl]-2-methyl-2-methylsulfonylpropanamide.

Molecular Properties

Compound NameN-[4-(hydroxymethyl)phenyl]-2-methyl-2-methylsulfonylpropanamide
PubChem CID64792642
Molecular FormulaC12H17NO4S
Molecular Weight271.34 g/mol
Exact Mass271.09
IUPAC NameN-[4-(hydroxymethyl)phenyl]-2-methyl-2-methylsulfonylpropanamide
SMILESCC(C)(C(=O)Nc1ccc(CO)cc1)S(C)(=O)=O
InChIInChI=1S/C12H17NO4S/c1-12(2,18(3,16)17)11(15)13-10-6-4-9(8-14)5-7-10/h4-7,14H,8H2,1-3H3,(H,13,15)
InChIKeyILUGIMRQSYYEDY-UHFFFAOYSA-N
XLogP0.94
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(1-aminoethyl)phenyl]-2-methyl-2-methylsulfonylpropanamide;hydrochloride
CID 119625570
2-[[4-(hydroxymethyl)phenyl]carbamoyl]-3,3-dimethylbutanoic acid
CID 116537436
methyl N-[4-(hydroxymethyl)phenyl]carbamate
CID 64793961
N-(2,3-dihydro-1H-indol-5-yl)-2-methyl-2-methylsulfonylpropanamide;hydrochloride
CID 119473761
1-(3,5-ditert-butylphenyl)-3-[4-(hydroxymethyl)phenyl]urea
CID 102226044
N-[4-(hydroxymethyl)phenyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112603178
N-(3-amino-4-methoxyphenyl)-2-methyl-2-methylsulfonylpropanamide;hydrochloride
CID 119419084
1-[4-(hydroxymethyl)phenyl]-3-(4-methylphenyl)urea
CID 64794146
N-[4-[[4-[[4-(2,2-dimethylpropanoylamino)anilino]methyl]phenyl]methylamino]phenyl]-2,2-dimethylpropanamide
CID 155301754
2,2-dimethyl-N-[4-(sulfanylmethyl)phenyl]propanamide
CID 176900093
2-amino-N-[4-(hydroxymethyl)phenyl]acetamide;ethane
CID 144997622
3-[4-[[2-(methanesulfonamido)-2-methylpropanoyl]amino]phenyl]propanoic acid
CID 119252351

Frequently Asked Questions

What is the IUPAC name of N-[4-(hydroxymethyl)phenyl]-2-methyl-2-methylsulfonylpropanamide?
The IUPAC name of N-[4-(hydroxymethyl)phenyl]-2-methyl-2-methylsulfonylpropanamide (CID 64792642) is N-[4-(hydroxymethyl)phenyl]-2-methyl-2-methylsulfonylpropanamide.
What is the SMILES notation for N-[4-(hydroxymethyl)phenyl]-2-methyl-2-methylsulfonylpropanamide?
The canonical SMILES for N-[4-(hydroxymethyl)phenyl]-2-methyl-2-methylsulfonylpropanamide is CC(C)(C(=O)Nc1ccc(CO)cc1)S(C)(=O)=O.
What is the InChIKey of N-[4-(hydroxymethyl)phenyl]-2-methyl-2-methylsulfonylpropanamide?
The InChIKey is ILUGIMRQSYYEDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO4S/c1-12(2,18(3,16)17)11(15)13-10-6-4-9(8-14)5-7-10/h4-7,14H,8H2,1-3H3,(H,13,15).
What are the key properties of N-[4-(hydroxymethyl)phenyl]-2-methyl-2-methylsulfonylpropanamide?
N-[4-(hydroxymethyl)phenyl]-2-methyl-2-methylsulfonylpropanamide has a molecular weight of 271.34 g/mol, XLogP of 0.94, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(hydroxymethyl)phenyl]-2-methyl-2-methylsulfonylpropanamide is sourced from PubChem (CID 64792642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).