2-hydroxy-2-methyl-3-[[4-(4-methylphenoxy)phenyl]methylsulfonylamino]propanamide

C18H22N2O5S — CID 91130513

IUPAC2-hydroxy-2-methyl-3-[[4-(4-methylphenoxy)phenyl]methylsulfonylamino]propanamide
SMILESCc1ccc(Oc2ccc(CS(=O)(=O)NCC(C)(O)C(N)=O)cc2)cc1
InChIInChI=1S/C18H22N2O5S/c1-13-3-7-15(8-4-13)25-16-9-5-14(6-10-16)11-26(23,24)20-12-18(2,22)17(19)21/h3-10,20,22H,11-12H2,1-2H3,(H2,19,21)
InChIKeyUKZXLBRCTCLJCA-UHFFFAOYSA-N
MW378.45 g/mol
LogP1.44
Rot. Bonds8

About 2-hydroxy-2-methyl-3-[[4-(4-methylphenoxy)phenyl]methylsulfonylamino]propanamide

2-hydroxy-2-methyl-3-[[4-(4-methylphenoxy)phenyl]methylsulfonylamino]propanamide (PubChem CID 91130513) has the molecular formula C18H22N2O5S and a molecular weight of 378.45 g/mol. Its IUPAC name is 2-hydroxy-2-methyl-3-[[4-(4-methylphenoxy)phenyl]methylsulfonylamino]propanamide.

Molecular Properties

Compound Name2-hydroxy-2-methyl-3-[[4-(4-methylphenoxy)phenyl]methylsulfonylamino]propanamide
PubChem CID91130513
Molecular FormulaC18H22N2O5S
Molecular Weight378.45 g/mol
Exact Mass378.12
IUPAC Name2-hydroxy-2-methyl-3-[[4-(4-methylphenoxy)phenyl]methylsulfonylamino]propanamide
SMILESCc1ccc(Oc2ccc(CS(=O)(=O)NCC(C)(O)C(N)=O)cc2)cc1
InChIInChI=1S/C18H22N2O5S/c1-13-3-7-15(8-4-13)25-16-9-5-14(6-10-16)11-26(23,24)20-12-18(2,22)17(19)21/h3-10,20,22H,11-12H2,1-2H3,(H2,19,21)
InChIKeyUKZXLBRCTCLJCA-UHFFFAOYSA-N
XLogP1.44
TPSA118.72 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 51.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-hydroxy-2-methyl-3-[[4-(4-methylphenoxy)phenyl]methylsulfonylamino]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-hydroxy-2-phenylpropyl)-1-(4-methylphenyl)methanesulfonamide
CID 110664052
2-hydroxy-2-methyl-3-[4-(4-methylphenoxy)-N-methylsulfonylanilino]propanamide
CID 69318720
tert-butyl N-[(4-methylphenyl)methylsulfonyl]carbamate
CID 159326280
2-[4-(4-methylphenoxy)phenoxy]-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]acetamide
CID 24633590
4-methyl-4-[(4-methylphenyl)methylsulfonylamino]pentanoic acid
CID 122068751
3-[(3,4-dichlorophenyl)methylsulfonylamino]-2-hydroxy-2-methylpropanoic acid
CID 122071355
4-[(4-methylphenyl)methylsulfonylamino]benzamide
CID 110756530
N-[(4-fluorophenyl)methyl]-1-(4-methylphenyl)methanesulfonamide
CID 30400180
N,2-dihydroxy-2-methyl-3-[4-(4-methylphenoxy)-N-methylsulfonylanilino]propanamide
CID 24882535
ethyl (2R)-3-[(4-ethoxyphenyl)sulfonylamino]-2-hydroxy-2-methylpropanoate
CID 97307640
N-(2-amino-2-methylpropyl)-1-(4-fluorophenyl)methanesulfonamide;hydrochloride
CID 119988176
4-(benzylsulfonylamino)-3-hydroxy-3-methylbutanoic acid
CID 66001767

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-methyl-3-[[4-(4-methylphenoxy)phenyl]methylsulfonylamino]propanamide?
The IUPAC name of 2-hydroxy-2-methyl-3-[[4-(4-methylphenoxy)phenyl]methylsulfonylamino]propanamide (CID 91130513) is 2-hydroxy-2-methyl-3-[[4-(4-methylphenoxy)phenyl]methylsulfonylamino]propanamide.
What is the SMILES notation for 2-hydroxy-2-methyl-3-[[4-(4-methylphenoxy)phenyl]methylsulfonylamino]propanamide?
The canonical SMILES for 2-hydroxy-2-methyl-3-[[4-(4-methylphenoxy)phenyl]methylsulfonylamino]propanamide is Cc1ccc(Oc2ccc(CS(=O)(=O)NCC(C)(O)C(N)=O)cc2)cc1.
What is the InChIKey of 2-hydroxy-2-methyl-3-[[4-(4-methylphenoxy)phenyl]methylsulfonylamino]propanamide?
The InChIKey is UKZXLBRCTCLJCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O5S/c1-13-3-7-15(8-4-13)25-16-9-5-14(6-10-16)11-26(23,24)20-12-18(2,22)17(19)21/h3-10,20,22H,11-12H2,1-2H3,(H2,19,21).
What are the key properties of 2-hydroxy-2-methyl-3-[[4-(4-methylphenoxy)phenyl]methylsulfonylamino]propanamide?
2-hydroxy-2-methyl-3-[[4-(4-methylphenoxy)phenyl]methylsulfonylamino]propanamide has a molecular weight of 378.45 g/mol, XLogP of 1.44, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-methyl-3-[[4-(4-methylphenoxy)phenyl]methylsulfonylamino]propanamide is sourced from PubChem (CID 91130513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).