2-hydroxy-2-methyl-3-[4-(4-methylphenoxy)-N-methylsulfonylanilino]propanamide

C18H22N2O5S — CID 69318720

IUPAC2-hydroxy-2-methyl-3-[4-(4-methylphenoxy)-N-methylsulfonylanilino]propanamide
SMILESCc1ccc(Oc2ccc(N(CC(C)(O)C(N)=O)S(C)(=O)=O)cc2)cc1
InChIInChI=1S/C18H22N2O5S/c1-13-4-8-15(9-5-13)25-16-10-6-14(7-11-16)20(26(3,23)24)12-18(2,22)17(19)21/h4-11,22H,12H2,1-3H3,(H2,19,21)
InChIKeyRURXHIBEBHJCIT-UHFFFAOYSA-N
MW378.45 g/mol
LogP1.79
Rot. Bonds7

About 2-hydroxy-2-methyl-3-[4-(4-methylphenoxy)-N-methylsulfonylanilino]propanamide

2-hydroxy-2-methyl-3-[4-(4-methylphenoxy)-N-methylsulfonylanilino]propanamide (PubChem CID 69318720) 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)-N-methylsulfonylanilino]propanamide.

Molecular Properties

Compound Name2-hydroxy-2-methyl-3-[4-(4-methylphenoxy)-N-methylsulfonylanilino]propanamide
PubChem CID69318720
Molecular FormulaC18H22N2O5S
Molecular Weight378.45 g/mol
Exact Mass378.12
IUPAC Name2-hydroxy-2-methyl-3-[4-(4-methylphenoxy)-N-methylsulfonylanilino]propanamide
SMILESCc1ccc(Oc2ccc(N(CC(C)(O)C(N)=O)S(C)(=O)=O)cc2)cc1
InChIInChI=1S/C18H22N2O5S/c1-13-4-8-15(9-5-13)25-16-10-6-14(7-11-16)20(26(3,23)24)12-18(2,22)17(19)21/h4-11,22H,12H2,1-3H3,(H2,19,21)
InChIKeyRURXHIBEBHJCIT-UHFFFAOYSA-N
XLogP1.79
TPSA109.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N,2-dihydroxy-2-methyl-3-[4-(4-methylphenoxy)-N-methylsulfonylanilino]propanamide
CID 24882535
2-hydroxy-2-methyl-3-[[4-(4-methylphenoxy)phenyl]methylsulfonylamino]propanamide
CID 91130513
(2S)-3-[N-(dimethylsulfamoyl)-4-(4-methylphenoxy)anilino]-2-hydroxypropanamide
CID 69321856
N-[(2S)-1-(hydroxyamino)-3-[4-(4-methylphenoxy)-N-methylsulfonylanilino]-1-oxopropan-2-yl]-2-methylpropanamide
CID 24955859
1-[4-[4-[carbamoyl-(4-methylphenyl)sulfonylamino]phenoxy]phenyl]-1-(4-methylphenyl)sulfonylurea
CID 19389530
N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]-2-(N-methylsulfonyl-4-phenoxyanilino)acetamide
CID 51342980
(2S)-2-(benzylamino)-N-hydroxy-3-[4-(4-methylphenoxy)-N-methylsulfonylanilino]propanamide
CID 24956943
2-(4-fluoroanilino)-N-hydroxy-3-[4-(4-methylphenoxy)-N-methylsulfonylanilino]propanamide
CID 59704806
N-[(Z)-(4-methylphenyl)methylideneamino]-2-(N-methylsulfonyl-4-phenoxyanilino)acetamide
CID 28588611
N-[2-(4-tert-butylphenoxy)ethyl]-2-(4-methyl-N-methylsulfonylanilino)acetamide
CID 94848392
2-(4-methyl-N-methylsulfonylanilino)-N-[4-(2H-tetrazol-5-yloxy)phenyl]acetamide
CID 131896194
ethyl N-[2-(4-methyl-N-methylsulfonylanilino)ethyl]carbamate
CID 113068739

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-methyl-3-[4-(4-methylphenoxy)-N-methylsulfonylanilino]propanamide?
The IUPAC name of 2-hydroxy-2-methyl-3-[4-(4-methylphenoxy)-N-methylsulfonylanilino]propanamide (CID 69318720) is 2-hydroxy-2-methyl-3-[4-(4-methylphenoxy)-N-methylsulfonylanilino]propanamide.
What is the SMILES notation for 2-hydroxy-2-methyl-3-[4-(4-methylphenoxy)-N-methylsulfonylanilino]propanamide?
The canonical SMILES for 2-hydroxy-2-methyl-3-[4-(4-methylphenoxy)-N-methylsulfonylanilino]propanamide is Cc1ccc(Oc2ccc(N(CC(C)(O)C(N)=O)S(C)(=O)=O)cc2)cc1.
What is the InChIKey of 2-hydroxy-2-methyl-3-[4-(4-methylphenoxy)-N-methylsulfonylanilino]propanamide?
The InChIKey is RURXHIBEBHJCIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O5S/c1-13-4-8-15(9-5-13)25-16-10-6-14(7-11-16)20(26(3,23)24)12-18(2,22)17(19)21/h4-11,22H,12H2,1-3H3,(H2,19,21).
What are the key properties of 2-hydroxy-2-methyl-3-[4-(4-methylphenoxy)-N-methylsulfonylanilino]propanamide?
2-hydroxy-2-methyl-3-[4-(4-methylphenoxy)-N-methylsulfonylanilino]propanamide has a molecular weight of 378.45 g/mol, XLogP of 1.79, 7 rotatable bonds, 2 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)-N-methylsulfonylanilino]propanamide is sourced from PubChem (CID 69318720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).