(2R)-2-(3-methyl-4-propan-2-ylphenoxy)-N-pyridin-3-ylsulfonylpropanamide

C18H22N2O4S — CID 94189479

IUPAC(2R)-2-(3-methyl-4-propan-2-ylphenoxy)-N-pyridin-3-ylsulfonylpropanamide
SMILESCc1cc(O[C@H](C)C(=O)NS(=O)(=O)c2cccnc2)ccc1C(C)C
InChIInChI=1S/C18H22N2O4S/c1-12(2)17-8-7-15(10-13(17)3)24-14(4)18(21)20-25(22,23)16-6-5-9-19-11-16/h5-12,14H,1-4H3,(H,20,21)/t14-/m1/s1
InChIKeyFLZHTQYWCGAIFC-CQSZACIVSA-N
MW362.45 g/mol
LogP2.79
Rot. Bonds6

About (2R)-2-(3-methyl-4-propan-2-ylphenoxy)-N-pyridin-3-ylsulfonylpropanamide

(2R)-2-(3-methyl-4-propan-2-ylphenoxy)-N-pyridin-3-ylsulfonylpropanamide (PubChem CID 94189479) has the molecular formula C18H22N2O4S and a molecular weight of 362.45 g/mol. Its IUPAC name is (2R)-2-(3-methyl-4-propan-2-ylphenoxy)-N-pyridin-3-ylsulfonylpropanamide.

Molecular Properties

Compound Name(2R)-2-(3-methyl-4-propan-2-ylphenoxy)-N-pyridin-3-ylsulfonylpropanamide
PubChem CID94189479
Molecular FormulaC18H22N2O4S
Molecular Weight362.45 g/mol
Exact Mass362.13
IUPAC Name(2R)-2-(3-methyl-4-propan-2-ylphenoxy)-N-pyridin-3-ylsulfonylpropanamide
SMILESCc1cc(O[C@H](C)C(=O)NS(=O)(=O)c2cccnc2)ccc1C(C)C
InChIInChI=1S/C18H22N2O4S/c1-12(2)17-8-7-15(10-13(17)3)24-14(4)18(21)20-25(22,23)16-6-5-9-19-11-16/h5-12,14H,1-4H3,(H,20,21)/t14-/m1/s1
InChIKeyFLZHTQYWCGAIFC-CQSZACIVSA-N
XLogP2.79
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.45
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-phenylmethoxy-N-pyridin-3-ylsulfonylpropanamide
CID 94189477
2-cycloheptyloxy-N-pyridin-3-ylsulfonylpropanamide
CID 91644611
2-(4-chloro-3-methylphenoxy)-N-pyridin-3-ylsulfonylacetamide
CID 95301732
2-(3-methyl-4-propan-2-ylphenoxy)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide
CID 53266898
(2R)-2-(3-methyl-4-propan-2-ylphenoxy)-N-(oxan-4-ylsulfonyl)propanamide
CID 94798035
(2R)-2-methoxy-2-phenyl-N-pyridin-3-ylsulfonylacetamide
CID 95301779
2-methyl-3-phenyl-N-pyridin-3-ylsulfonylpropanamide
CID 59892161
N-[2-(difluoromethylsulfonyl)phenyl]-2-(3-methyl-4-propan-2-ylphenoxy)propanamide
CID 55775098
N-(2-aminoethyl)-2-(3-methyl-4-propan-2-ylphenoxy)propanamide
CID 119385381
N-[2-(methylamino)ethyl]-2-(3-methyl-4-propan-2-ylphenoxy)propanamide;hydrochloride
CID 119504142
N-[(2R)-1-oxo-1-(pyridin-3-ylsulfonylamino)propan-2-yl]cyclohexanecarboxamide
CID 97065422
2-(3-methyl-4-propan-2-ylphenoxy)propanamide
CID 47095242

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3-methyl-4-propan-2-ylphenoxy)-N-pyridin-3-ylsulfonylpropanamide?
The IUPAC name of (2R)-2-(3-methyl-4-propan-2-ylphenoxy)-N-pyridin-3-ylsulfonylpropanamide (CID 94189479) is (2R)-2-(3-methyl-4-propan-2-ylphenoxy)-N-pyridin-3-ylsulfonylpropanamide.
What is the SMILES notation for (2R)-2-(3-methyl-4-propan-2-ylphenoxy)-N-pyridin-3-ylsulfonylpropanamide?
The canonical SMILES for (2R)-2-(3-methyl-4-propan-2-ylphenoxy)-N-pyridin-3-ylsulfonylpropanamide is Cc1cc(O[C@H](C)C(=O)NS(=O)(=O)c2cccnc2)ccc1C(C)C.
What is the InChIKey of (2R)-2-(3-methyl-4-propan-2-ylphenoxy)-N-pyridin-3-ylsulfonylpropanamide?
The InChIKey is FLZHTQYWCGAIFC-CQSZACIVSA-N. The full InChI is InChI=1S/C18H22N2O4S/c1-12(2)17-8-7-15(10-13(17)3)24-14(4)18(21)20-25(22,23)16-6-5-9-19-11-16/h5-12,14H,1-4H3,(H,20,21)/t14-/m1/s1.
What are the key properties of (2R)-2-(3-methyl-4-propan-2-ylphenoxy)-N-pyridin-3-ylsulfonylpropanamide?
(2R)-2-(3-methyl-4-propan-2-ylphenoxy)-N-pyridin-3-ylsulfonylpropanamide has a molecular weight of 362.45 g/mol, XLogP of 2.79, 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-pyridin-3-ylsulfonylpropanamide is sourced from PubChem (CID 94189479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).