(2R)-2-(2-cyanophenoxy)-N-(4-methoxy-3-methylphenyl)sulfonylpropanamide

C18H18N2O5S — CID 95176209

IUPAC(2R)-2-(2-cyanophenoxy)-N-(4-methoxy-3-methylphenyl)sulfonylpropanamide
SMILESCOc1ccc(S(=O)(=O)NC(=O)[C@@H](C)Oc2ccccc2C#N)cc1C
InChIInChI=1S/C18H18N2O5S/c1-12-10-15(8-9-16(12)24-3)26(22,23)20-18(21)13(2)25-17-7-5-4-6-14(17)11-19/h4-10,13H,1-3H3,(H,20,21)/t13-/m1/s1
InChIKeyIZVSNPPFHIMCSC-CYBMUJFWSA-N
MW374.42 g/mol
LogP2.15
Rot. Bonds6

About (2R)-2-(2-cyanophenoxy)-N-(4-methoxy-3-methylphenyl)sulfonylpropanamide

(2R)-2-(2-cyanophenoxy)-N-(4-methoxy-3-methylphenyl)sulfonylpropanamide (PubChem CID 95176209) has the molecular formula C18H18N2O5S and a molecular weight of 374.42 g/mol. Its IUPAC name is (2R)-2-(2-cyanophenoxy)-N-(4-methoxy-3-methylphenyl)sulfonylpropanamide.

Molecular Properties

Compound Name(2R)-2-(2-cyanophenoxy)-N-(4-methoxy-3-methylphenyl)sulfonylpropanamide
PubChem CID95176209
Molecular FormulaC18H18N2O5S
Molecular Weight374.42 g/mol
Exact Mass374.09
IUPAC Name(2R)-2-(2-cyanophenoxy)-N-(4-methoxy-3-methylphenyl)sulfonylpropanamide
SMILESCOc1ccc(S(=O)(=O)NC(=O)[C@@H](C)Oc2ccccc2C#N)cc1C
InChIInChI=1S/C18H18N2O5S/c1-12-10-15(8-9-16(12)24-3)26(22,23)20-18(21)13(2)25-17-7-5-4-6-14(17)11-19/h4-10,13H,1-3H3,(H,20,21)/t13-/m1/s1
InChIKeyIZVSNPPFHIMCSC-CYBMUJFWSA-N
XLogP2.15
TPSA105.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.42
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-cyanophenoxy)-N-methylsulfonylpropanamide
CID 47232876
(2S)-2-(2-cyanophenoxy)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]propanamide
CID 51915891
(2R)-2-(2-cyanophenoxy)-N-(2-methoxy-5-nitrophenyl)propanamide
CID 2565716
N-(2-cyanophenyl)-2-[(4-methoxy-3-methylphenyl)sulfonylamino]acetamide
CID 113001879
ethyl N-[[(2S)-2-(2-cyanophenoxy)propanoyl]amino]carbamate
CID 37002364
methyl 2-(2-cyanophenoxy)propanoate
CID 21465360
2-(2-cyanophenoxy)-N-[4-(dimethylsulfamoyl)phenyl]propanamide
CID 55597385
(2S)-2-(2-cyanophenoxy)-N-(2-methoxy-4-nitrophenyl)propanamide
CID 7382527
(2R)-2-(2-cyanophenoxy)-N-(4-methylphenyl)propanamide
CID 2565309
2-(2-cyanophenoxy)-N-(3-hydroxy-2-methylbutan-2-yl)propanamide
CID 115884445
2-(2-cyanophenoxy)-N-[(2S)-2-hydroxypropyl]propanamide
CID 83030552
N-(4-methoxy-3-methylphenyl)sulfonylfuran-3-carboxamide
CID 47397641

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-cyanophenoxy)-N-(4-methoxy-3-methylphenyl)sulfonylpropanamide?
The IUPAC name of (2R)-2-(2-cyanophenoxy)-N-(4-methoxy-3-methylphenyl)sulfonylpropanamide (CID 95176209) is (2R)-2-(2-cyanophenoxy)-N-(4-methoxy-3-methylphenyl)sulfonylpropanamide.
What is the SMILES notation for (2R)-2-(2-cyanophenoxy)-N-(4-methoxy-3-methylphenyl)sulfonylpropanamide?
The canonical SMILES for (2R)-2-(2-cyanophenoxy)-N-(4-methoxy-3-methylphenyl)sulfonylpropanamide is COc1ccc(S(=O)(=O)NC(=O)[C@@H](C)Oc2ccccc2C#N)cc1C.
What is the InChIKey of (2R)-2-(2-cyanophenoxy)-N-(4-methoxy-3-methylphenyl)sulfonylpropanamide?
The InChIKey is IZVSNPPFHIMCSC-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H18N2O5S/c1-12-10-15(8-9-16(12)24-3)26(22,23)20-18(21)13(2)25-17-7-5-4-6-14(17)11-19/h4-10,13H,1-3H3,(H,20,21)/t13-/m1/s1.
What are the key properties of (2R)-2-(2-cyanophenoxy)-N-(4-methoxy-3-methylphenyl)sulfonylpropanamide?
(2R)-2-(2-cyanophenoxy)-N-(4-methoxy-3-methylphenyl)sulfonylpropanamide has a molecular weight of 374.42 g/mol, XLogP of 2.15, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-cyanophenoxy)-N-(4-methoxy-3-methylphenyl)sulfonylpropanamide is sourced from PubChem (CID 95176209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).