(2S)-N-[3-(tert-butylsulfamoyl)phenyl]-2-(4-cyanophenoxy)propanamide

C20H23N3O4S — CID 9108000

IUPAC(2S)-N-[3-(tert-butylsulfamoyl)phenyl]-2-(4-cyanophenoxy)propanamide
SMILESC[C@H](Oc1ccc(C#N)cc1)C(=O)Nc1cccc(S(=O)(=O)NC(C)(C)C)c1
InChIInChI=1S/C20H23N3O4S/c1-14(27-17-10-8-15(13-21)9-11-17)19(24)22-16-6-5-7-18(12-16)28(25,26)23-20(2,3)4/h5-12,14,23H,1-4H3,(H,22,24)/t14-/m0/s1
InChIKeyJCYIVWMWTQSKOR-AWEZNQCLSA-N
MW401.49 g/mol
LogP3.04
Rot. Bonds6

About (2S)-N-[3-(tert-butylsulfamoyl)phenyl]-2-(4-cyanophenoxy)propanamide

(2S)-N-[3-(tert-butylsulfamoyl)phenyl]-2-(4-cyanophenoxy)propanamide (PubChem CID 9108000) has the molecular formula C20H23N3O4S and a molecular weight of 401.49 g/mol. Its IUPAC name is (2S)-N-[3-(tert-butylsulfamoyl)phenyl]-2-(4-cyanophenoxy)propanamide.

Molecular Properties

Compound Name(2S)-N-[3-(tert-butylsulfamoyl)phenyl]-2-(4-cyanophenoxy)propanamide
PubChem CID9108000
Molecular FormulaC20H23N3O4S
Molecular Weight401.49 g/mol
Exact Mass401.14
IUPAC Name(2S)-N-[3-(tert-butylsulfamoyl)phenyl]-2-(4-cyanophenoxy)propanamide
SMILESC[C@H](Oc1ccc(C#N)cc1)C(=O)Nc1cccc(S(=O)(=O)NC(C)(C)C)c1
InChIInChI=1S/C20H23N3O4S/c1-14(27-17-10-8-15(13-21)9-11-17)19(24)22-16-6-5-7-18(12-16)28(25,26)23-20(2,3)4/h5-12,14,23H,1-4H3,(H,22,24)/t14-/m0/s1
InChIKeyJCYIVWMWTQSKOR-AWEZNQCLSA-N
XLogP3.04
TPSA108.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.49
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-(4-cyanophenoxy)-N-(3-methylsulfonylphenyl)propanamide
CID 9072191
(2R)-2-(4-cyanophenoxy)-N-[3-(dimethylsulfamoyl)phenyl]propanamide
CID 7818704
2-(4-cyanophenoxy)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]propanamide
CID 16546882
(2S)-2-(4-cyanophenoxy)-N-(3-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 9414961
2-(4-cyanophenoxy)-N-(3-iodophenyl)propanamide
CID 78675814
2-(4-cyanophenoxy)-N-(3-methoxyphenyl)propanamide
CID 51140373
(2R)-2-(4-cyanophenoxy)-N-phenylpropanamide
CID 7503300
2-(4-cyanophenoxy)-N-[3-(hydroxymethyl)phenyl]propanamide
CID 110877125
2-(4-cyanophenoxy)-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide
CID 16548273
(2S)-2-(4-acetamidophenoxy)-N-(3-cyanophenyl)propanamide
CID 7642457
(2S)-2-(4-cyanophenoxy)-N-naphthalen-2-ylpropanamide
CID 9412867
2-(4-cyanophenoxy)-N-naphthalen-2-ylpropanamide
CID 78762344

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[3-(tert-butylsulfamoyl)phenyl]-2-(4-cyanophenoxy)propanamide?
The IUPAC name of (2S)-N-[3-(tert-butylsulfamoyl)phenyl]-2-(4-cyanophenoxy)propanamide (CID 9108000) is (2S)-N-[3-(tert-butylsulfamoyl)phenyl]-2-(4-cyanophenoxy)propanamide.
What is the SMILES notation for (2S)-N-[3-(tert-butylsulfamoyl)phenyl]-2-(4-cyanophenoxy)propanamide?
The canonical SMILES for (2S)-N-[3-(tert-butylsulfamoyl)phenyl]-2-(4-cyanophenoxy)propanamide is C[C@H](Oc1ccc(C#N)cc1)C(=O)Nc1cccc(S(=O)(=O)NC(C)(C)C)c1.
What is the InChIKey of (2S)-N-[3-(tert-butylsulfamoyl)phenyl]-2-(4-cyanophenoxy)propanamide?
The InChIKey is JCYIVWMWTQSKOR-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H23N3O4S/c1-14(27-17-10-8-15(13-21)9-11-17)19(24)22-16-6-5-7-18(12-16)28(25,26)23-20(2,3)4/h5-12,14,23H,1-4H3,(H,22,24)/t14-/m0/s1.
What are the key properties of (2S)-N-[3-(tert-butylsulfamoyl)phenyl]-2-(4-cyanophenoxy)propanamide?
(2S)-N-[3-(tert-butylsulfamoyl)phenyl]-2-(4-cyanophenoxy)propanamide has a molecular weight of 401.49 g/mol, XLogP of 3.04, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[3-(tert-butylsulfamoyl)phenyl]-2-(4-cyanophenoxy)propanamide is sourced from PubChem (CID 9108000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).