2-(2-methylphenoxy)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]butanamide

C22H23N3O4S — CID 43885240

IUPAC2-(2-methylphenoxy)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]butanamide
SMILESCCC(Oc1ccccc1C)C(=O)Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1
InChIInChI=1S/C22H23N3O4S/c1-3-19(29-20-9-5-4-8-16(20)2)22(26)24-17-11-13-18(14-12-17)30(27,28)25-21-10-6-7-15-23-21/h4-15,19H,3H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyNWNQLUVSWKKWKN-UHFFFAOYSA-N
MW425.51 g/mol
LogP3.99
Rot. Bonds8

About 2-(2-methylphenoxy)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]butanamide

2-(2-methylphenoxy)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]butanamide (PubChem CID 43885240) has the molecular formula C22H23N3O4S and a molecular weight of 425.51 g/mol. Its IUPAC name is 2-(2-methylphenoxy)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]butanamide.

Molecular Properties

Compound Name2-(2-methylphenoxy)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]butanamide
PubChem CID43885240
Molecular FormulaC22H23N3O4S
Molecular Weight425.51 g/mol
Exact Mass425.14
IUPAC Name2-(2-methylphenoxy)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]butanamide
SMILESCCC(Oc1ccccc1C)C(=O)Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1
InChIInChI=1S/C22H23N3O4S/c1-3-19(29-20-9-5-4-8-16(20)2)22(26)24-17-11-13-18(14-12-17)30(27,28)25-21-10-6-7-15-23-21/h4-15,19H,3H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyNWNQLUVSWKKWKN-UHFFFAOYSA-N
XLogP3.99
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.51
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-methylphenoxy)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]butanamide
CID 43908529
N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]-2-(2-methylphenoxy)butanamide
CID 54782642
(2S)-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-2-(2-methylphenoxy)butanamide
CID 40582413
(2R)-2-(2-methylphenoxy)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]butanamide
CID 92672537
N-[4-[(2,5-dimethylphenyl)sulfamoyl]phenyl]-2-(2-methylphenoxy)butanamide
CID 43910321
N-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]-2-(2-methylphenoxy)butanamide
CID 43876669
(2R)-2-(2-methylphenoxy)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide
CID 92681510
(2R)-N-[4-[(2,4-dichlorophenyl)sulfamoyl]phenyl]-2-(2-methylphenoxy)butanamide
CID 93488130
2-(2,3-dimethylphenoxy)-N-[4-[(2-methylphenyl)sulfamoyl]phenyl]butanamide
CID 43885380
(2R)-N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-2-(3-methoxyphenoxy)butanamide
CID 30384301
(2R)-2-(2,3-dimethylphenoxy)-N-[4-(pyridin-3-ylsulfamoyl)phenyl]butanamide
CID 99950023
(2S)-N-[4-[[4-chloro-3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]-2-(2-methylphenoxy)butanamide
CID 99942375

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenoxy)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]butanamide?
The IUPAC name of 2-(2-methylphenoxy)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]butanamide (CID 43885240) is 2-(2-methylphenoxy)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]butanamide.
What is the SMILES notation for 2-(2-methylphenoxy)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]butanamide?
The canonical SMILES for 2-(2-methylphenoxy)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]butanamide is CCC(Oc1ccccc1C)C(=O)Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1.
What is the InChIKey of 2-(2-methylphenoxy)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]butanamide?
The InChIKey is NWNQLUVSWKKWKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O4S/c1-3-19(29-20-9-5-4-8-16(20)2)22(26)24-17-11-13-18(14-12-17)30(27,28)25-21-10-6-7-15-23-21/h4-15,19H,3H2,1-2H3,(H,23,25)(H,24,26).
What are the key properties of 2-(2-methylphenoxy)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]butanamide?
2-(2-methylphenoxy)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]butanamide has a molecular weight of 425.51 g/mol, XLogP of 3.99, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenoxy)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]butanamide is sourced from PubChem (CID 43885240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).