(2R)-2-(3-methyl-4-propan-2-ylphenoxy)-N-(oxan-4-ylsulfonyl)propanamide

C18H27NO5S — CID 94798035

IUPAC(2R)-2-(3-methyl-4-propan-2-ylphenoxy)-N-(oxan-4-ylsulfonyl)propanamide
SMILESCc1cc(O[C@H](C)C(=O)NS(=O)(=O)C2CCOCC2)ccc1C(C)C
InChIInChI=1S/C18H27NO5S/c1-12(2)17-6-5-15(11-13(17)3)24-14(4)18(20)19-25(21,22)16-7-9-23-10-8-16/h5-6,11-12,14,16H,7-10H2,1-4H3,(H,19,20)/t14-/m1/s1
InChIKeyOZCKPXVNLXUUJM-CQSZACIVSA-N
MW369.48 g/mol
LogP2.51
Rot. Bonds6

About (2R)-2-(3-methyl-4-propan-2-ylphenoxy)-N-(oxan-4-ylsulfonyl)propanamide

(2R)-2-(3-methyl-4-propan-2-ylphenoxy)-N-(oxan-4-ylsulfonyl)propanamide (PubChem CID 94798035) has the molecular formula C18H27NO5S and a molecular weight of 369.48 g/mol. Its IUPAC name is (2R)-2-(3-methyl-4-propan-2-ylphenoxy)-N-(oxan-4-ylsulfonyl)propanamide.

Molecular Properties

Compound Name(2R)-2-(3-methyl-4-propan-2-ylphenoxy)-N-(oxan-4-ylsulfonyl)propanamide
PubChem CID94798035
Molecular FormulaC18H27NO5S
Molecular Weight369.48 g/mol
Exact Mass369.16
IUPAC Name(2R)-2-(3-methyl-4-propan-2-ylphenoxy)-N-(oxan-4-ylsulfonyl)propanamide
SMILESCc1cc(O[C@H](C)C(=O)NS(=O)(=O)C2CCOCC2)ccc1C(C)C
InChIInChI=1S/C18H27NO5S/c1-12(2)17-6-5-15(11-13(17)3)24-14(4)18(20)19-25(21,22)16-7-9-23-10-8-16/h5-6,11-12,14,16H,7-10H2,1-4H3,(H,19,20)/t14-/m1/s1
InChIKeyOZCKPXVNLXUUJM-CQSZACIVSA-N
XLogP2.51
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.48
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2R)-2-(3-methyl-4-propan-2-ylphenoxy)-N-(oxan-4-ylsulfonyl)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-[2-(3-methyl-4-propan-2-ylphenoxy)propanoylamino]ethyl]cyclohexanecarboxamide
CID 55805598
2-(3-methyl-4-propan-2-ylphenoxy)-N-pyrrolidin-3-ylpropanamide;hydrochloride
CID 119454077
(2R)-2-(3-methyl-4-propan-2-ylphenoxy)-N-pyridin-3-ylsulfonylpropanamide
CID 94189479
N-[2-(methylamino)ethyl]-2-(3-methyl-4-propan-2-ylphenoxy)propanamide;hydrochloride
CID 119504142
N-(2-aminoethyl)-2-(3-methyl-4-propan-2-ylphenoxy)propanamide
CID 119385381
N-(2-methylpiperidin-4-yl)-2-(3-methyl-4-propan-2-ylphenoxy)propanamide;hydrochloride
CID 120599814
2-(3-methyl-4-propan-2-ylphenoxy)propanamide
CID 47095242
1-(4-hydroxypiperidin-1-yl)-2-(3-methyl-4-propan-2-ylphenoxy)propan-1-one
CID 110895183
N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-2-(3-methyl-4-propan-2-ylphenoxy)propanamide
CID 111661772
2-methyl-N'-[(2S)-2-(3-methyl-4-propan-2-ylphenoxy)propanoyl]furan-3-carbohydrazide
CID 51958181
2-(3-methyl-4-propan-2-ylphenoxy)-N-(2-piperidin-3-ylethyl)propanamide;hydrochloride
CID 119559244
N-[2-(difluoromethylsulfonyl)phenyl]-2-(3-methyl-4-propan-2-ylphenoxy)propanamide
CID 55775098

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3-methyl-4-propan-2-ylphenoxy)-N-(oxan-4-ylsulfonyl)propanamide?
The IUPAC name of (2R)-2-(3-methyl-4-propan-2-ylphenoxy)-N-(oxan-4-ylsulfonyl)propanamide (CID 94798035) is (2R)-2-(3-methyl-4-propan-2-ylphenoxy)-N-(oxan-4-ylsulfonyl)propanamide.
What is the SMILES notation for (2R)-2-(3-methyl-4-propan-2-ylphenoxy)-N-(oxan-4-ylsulfonyl)propanamide?
The canonical SMILES for (2R)-2-(3-methyl-4-propan-2-ylphenoxy)-N-(oxan-4-ylsulfonyl)propanamide is Cc1cc(O[C@H](C)C(=O)NS(=O)(=O)C2CCOCC2)ccc1C(C)C.
What is the InChIKey of (2R)-2-(3-methyl-4-propan-2-ylphenoxy)-N-(oxan-4-ylsulfonyl)propanamide?
The InChIKey is OZCKPXVNLXUUJM-CQSZACIVSA-N. The full InChI is InChI=1S/C18H27NO5S/c1-12(2)17-6-5-15(11-13(17)3)24-14(4)18(20)19-25(21,22)16-7-9-23-10-8-16/h5-6,11-12,14,16H,7-10H2,1-4H3,(H,19,20)/t14-/m1/s1.
What are the key properties of (2R)-2-(3-methyl-4-propan-2-ylphenoxy)-N-(oxan-4-ylsulfonyl)propanamide?
(2R)-2-(3-methyl-4-propan-2-ylphenoxy)-N-(oxan-4-ylsulfonyl)propanamide has a molecular weight of 369.48 g/mol, XLogP of 2.51, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3-methyl-4-propan-2-ylphenoxy)-N-(oxan-4-ylsulfonyl)propanamide is sourced from PubChem (CID 94798035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).