(2R)-2-(4-cyano-2-methoxyphenoxy)-N-(3-sulfamoylphenyl)propanamide

C17H17N3O5S — CID 8978446

IUPAC(2R)-2-(4-cyano-2-methoxyphenoxy)-N-(3-sulfamoylphenyl)propanamide
SMILESCOc1cc(C#N)ccc1O[C@H](C)C(=O)Nc1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C17H17N3O5S/c1-11(25-15-7-6-12(10-18)8-16(15)24-2)17(21)20-13-4-3-5-14(9-13)26(19,22)23/h3-9,11H,1-2H3,(H,20,21)(H2,19,22,23)/t11-/m1/s1
InChIKeyYLSPJACXDFFSEN-LLVKDONJSA-N
MW375.41 g/mol
LogP1.62
Rot. Bonds6

About (2R)-2-(4-cyano-2-methoxyphenoxy)-N-(3-sulfamoylphenyl)propanamide

(2R)-2-(4-cyano-2-methoxyphenoxy)-N-(3-sulfamoylphenyl)propanamide (PubChem CID 8978446) has the molecular formula C17H17N3O5S and a molecular weight of 375.41 g/mol. Its IUPAC name is (2R)-2-(4-cyano-2-methoxyphenoxy)-N-(3-sulfamoylphenyl)propanamide.

Molecular Properties

Compound Name(2R)-2-(4-cyano-2-methoxyphenoxy)-N-(3-sulfamoylphenyl)propanamide
PubChem CID8978446
Molecular FormulaC17H17N3O5S
Molecular Weight375.41 g/mol
Exact Mass375.09
IUPAC Name(2R)-2-(4-cyano-2-methoxyphenoxy)-N-(3-sulfamoylphenyl)propanamide
SMILESCOc1cc(C#N)ccc1O[C@H](C)C(=O)Nc1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C17H17N3O5S/c1-11(25-15-7-6-12(10-18)8-16(15)24-2)17(21)20-13-4-3-5-14(9-13)26(19,22)23/h3-9,11H,1-2H3,(H,20,21)(H2,19,22,23)/t11-/m1/s1
InChIKeyYLSPJACXDFFSEN-LLVKDONJSA-N
XLogP1.62
TPSA131.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.41
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-N-(3-bromophenyl)-2-(4-cyano-2-methoxyphenoxy)propanamide
CID 8978416
(2R)-N-(3-acetylphenyl)-2-(4-cyano-2-methoxyphenoxy)propanamide
CID 7757274
N-(3-chloro-4-methoxyphenyl)-2-(4-cyano-2-methoxyphenoxy)propanamide
CID 55422385
(2R)-N-(4-chlorophenyl)-2-(4-cyano-2-methoxyphenoxy)propanamide
CID 7757420
(2S)-2-(4-cyano-2-methoxyphenoxy)-N-(2-methoxyphenyl)propanamide
CID 7757378
4-cyano-2-(4-fluoro-2-methoxyphenoxy)-N-(3-sulfamoylphenyl)benzamide
CID 90467765
(2S)-2-(4-cyano-2-methoxyphenoxy)-N-(4-ethoxyphenyl)propanamide
CID 8978421
(2R)-2-(4-cyanophenoxy)-N-(3-methylsulfonylphenyl)propanamide
CID 9072191
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(4-cyano-2-methoxyphenoxy)propanamide
CID 16511712
(2R)-2-(4-cyanophenoxy)-N-[3-(dimethylsulfamoyl)phenyl]propanamide
CID 7818704
3-(4-cyano-2-methoxyphenoxy)-N-(3-sulfamoylphenyl)-6-(trifluoromethyl)pyridazine-4-carboxamide
CID 167199380
2-(4-cyano-2-methoxyphenoxy)-N-prop-2-ynylpropanamide
CID 43112207

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-cyano-2-methoxyphenoxy)-N-(3-sulfamoylphenyl)propanamide?
The IUPAC name of (2R)-2-(4-cyano-2-methoxyphenoxy)-N-(3-sulfamoylphenyl)propanamide (CID 8978446) is (2R)-2-(4-cyano-2-methoxyphenoxy)-N-(3-sulfamoylphenyl)propanamide.
What is the SMILES notation for (2R)-2-(4-cyano-2-methoxyphenoxy)-N-(3-sulfamoylphenyl)propanamide?
The canonical SMILES for (2R)-2-(4-cyano-2-methoxyphenoxy)-N-(3-sulfamoylphenyl)propanamide is COc1cc(C#N)ccc1O[C@H](C)C(=O)Nc1cccc(S(N)(=O)=O)c1.
What is the InChIKey of (2R)-2-(4-cyano-2-methoxyphenoxy)-N-(3-sulfamoylphenyl)propanamide?
The InChIKey is YLSPJACXDFFSEN-LLVKDONJSA-N. The full InChI is InChI=1S/C17H17N3O5S/c1-11(25-15-7-6-12(10-18)8-16(15)24-2)17(21)20-13-4-3-5-14(9-13)26(19,22)23/h3-9,11H,1-2H3,(H,20,21)(H2,19,22,23)/t11-/m1/s1.
What are the key properties of (2R)-2-(4-cyano-2-methoxyphenoxy)-N-(3-sulfamoylphenyl)propanamide?
(2R)-2-(4-cyano-2-methoxyphenoxy)-N-(3-sulfamoylphenyl)propanamide has a molecular weight of 375.41 g/mol, XLogP of 1.62, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-cyano-2-methoxyphenoxy)-N-(3-sulfamoylphenyl)propanamide is sourced from PubChem (CID 8978446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).