2-(4-cyanophenoxy)-N-propan-2-ylsulfonylpropanamide

C13H16N2O4S — CID 47458561

IUPAC2-(4-cyanophenoxy)-N-propan-2-ylsulfonylpropanamide
SMILESCC(Oc1ccc(C#N)cc1)C(=O)NS(=O)(=O)C(C)C
InChIInChI=1S/C13H16N2O4S/c1-9(2)20(17,18)15-13(16)10(3)19-12-6-4-11(8-14)5-7-12/h4-7,9-10H,1-3H3,(H,15,16)
InChIKeyAKIGITFPMQDWKZ-UHFFFAOYSA-N
MW296.35 g/mol
LogP1.18
Rot. Bonds5

About 2-(4-cyanophenoxy)-N-propan-2-ylsulfonylpropanamide

2-(4-cyanophenoxy)-N-propan-2-ylsulfonylpropanamide (PubChem CID 47458561) has the molecular formula C13H16N2O4S and a molecular weight of 296.35 g/mol. Its IUPAC name is 2-(4-cyanophenoxy)-N-propan-2-ylsulfonylpropanamide.

Molecular Properties

Compound Name2-(4-cyanophenoxy)-N-propan-2-ylsulfonylpropanamide
PubChem CID47458561
Molecular FormulaC13H16N2O4S
Molecular Weight296.35 g/mol
Exact Mass296.08
IUPAC Name2-(4-cyanophenoxy)-N-propan-2-ylsulfonylpropanamide
SMILESCC(Oc1ccc(C#N)cc1)C(=O)NS(=O)(=O)C(C)C
InChIInChI=1S/C13H16N2O4S/c1-9(2)20(17,18)15-13(16)10(3)19-12-6-4-11(8-14)5-7-12/h4-7,9-10H,1-3H3,(H,15,16)
InChIKeyAKIGITFPMQDWKZ-UHFFFAOYSA-N
XLogP1.18
TPSA96.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.35
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(4-cyanophenyl)phenoxy]-N-propan-2-ylpropanamide
CID 51183672
4-[(2R)-3-oxobutan-2-yl]oxybenzonitrile
CID 6933766
(2S)-2-(4-cyanophenoxy)propanoic acid
CID 7127729
(2R)-2-(4-cyanophenoxy)-N-phenylpropanamide
CID 7503300
2-(4-cyanophenoxy)-N-(1,3-dihydroxypropan-2-yl)propanamide
CID 65315312
(2S)-2-[2-(4-cyanophenoxy)propanoylamino]-3-methylbutanoic acid
CID 61136472
2-(4-cyanophenoxy)-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide
CID 16548273
methyl 2-[2-(4-cyanophenoxy)propanoylamino]-2-methylpropanoate
CID 43074352
2-(4-cyanophenoxy)-N-(2-hydroxyphenyl)propanamide
CID 46665197
(2S)-N-(4-bromophenyl)-2-(4-cyanophenoxy)propanamide
CID 7503268
(2S)-3-[2-(4-cyanophenoxy)propanoylamino]-2-hydroxypropanoic acid
CID 107833675
2-(4-cyanophenoxy)-N-[(4-propan-2-yloxyphenyl)methyl]propanamide
CID 134055001

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyanophenoxy)-N-propan-2-ylsulfonylpropanamide?
The IUPAC name of 2-(4-cyanophenoxy)-N-propan-2-ylsulfonylpropanamide (CID 47458561) is 2-(4-cyanophenoxy)-N-propan-2-ylsulfonylpropanamide.
What is the SMILES notation for 2-(4-cyanophenoxy)-N-propan-2-ylsulfonylpropanamide?
The canonical SMILES for 2-(4-cyanophenoxy)-N-propan-2-ylsulfonylpropanamide is CC(Oc1ccc(C#N)cc1)C(=O)NS(=O)(=O)C(C)C.
What is the InChIKey of 2-(4-cyanophenoxy)-N-propan-2-ylsulfonylpropanamide?
The InChIKey is AKIGITFPMQDWKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O4S/c1-9(2)20(17,18)15-13(16)10(3)19-12-6-4-11(8-14)5-7-12/h4-7,9-10H,1-3H3,(H,15,16).
What are the key properties of 2-(4-cyanophenoxy)-N-propan-2-ylsulfonylpropanamide?
2-(4-cyanophenoxy)-N-propan-2-ylsulfonylpropanamide has a molecular weight of 296.35 g/mol, XLogP of 1.18, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyanophenoxy)-N-propan-2-ylsulfonylpropanamide is sourced from PubChem (CID 47458561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).