2-(4-propan-2-ylphenoxy)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide

C22H23N3O4S — CID 1078192

IUPAC2-(4-propan-2-ylphenoxy)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide
SMILESCC(C)c1ccc(OCC(=O)Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)cc1
InChIInChI=1S/C22H23N3O4S/c1-16(2)17-6-10-19(11-7-17)29-15-22(26)24-18-8-12-20(13-9-18)30(27,28)25-21-5-3-4-14-23-21/h3-14,16H,15H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyCKNHMUUCKMEWHB-UHFFFAOYSA-N
MW425.51 g/mol
LogP4.02
Rot. Bonds8

About 2-(4-propan-2-ylphenoxy)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide

2-(4-propan-2-ylphenoxy)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide (PubChem CID 1078192) has the molecular formula C22H23N3O4S and a molecular weight of 425.51 g/mol. Its IUPAC name is 2-(4-propan-2-ylphenoxy)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-propan-2-ylphenoxy)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide
PubChem CID1078192
Molecular FormulaC22H23N3O4S
Molecular Weight425.51 g/mol
Exact Mass425.14
IUPAC Name2-(4-propan-2-ylphenoxy)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide
SMILESCC(C)c1ccc(OCC(=O)Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)cc1
InChIInChI=1S/C22H23N3O4S/c1-16(2)17-6-10-19(11-7-17)29-15-22(26)24-18-8-12-20(13-9-18)30(27,28)25-21-5-3-4-14-23-21/h3-14,16H,15H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyCKNHMUUCKMEWHB-UHFFFAOYSA-N
XLogP4.02
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 ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(benzyloxy)pyridin-2-yl]benzenesulfonamide
CID 4338178
2-(3,5-dimethylphenoxy)-N-{4-[(2-pyridinylamino)sulfonyl]phenyl}acetamide
CID 1078193
2-(3,4-dimethylphenoxy)-N-{4-[(2-pyridylamino)sulfonyl]phenyl}acetamide
CID 1078194
2-(2,4-Dimethyl-phenoxy)-N-[4-(pyridin-2-ylsulfamoyl)-phenyl]-acetamide
CID 1078201
2-[4-(Benzyl-methyl-sulfamoyl)-phenoxy]-N-pyridin-3-ylmethyl-acetamide
CID 1092926
2-phenoxy-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide
CID 1103426
2-(4-tert-butylphenoxy)-N-{4-[(pyrimidin-2-yl)sulfamoyl]phenyl}acetamide
CID 1183047
2-(4-bromophenoxy)-N-{4-[(2-pyridylamino)sulfonyl]phenyl}acetamide
CID 1193437
2-[4-(phenylsulfamoyl)phenoxy]-N-(pyridin-3-ylmethyl)acetamide
CID 1243342
2-[4-[(4-methylphenyl)sulfamoyl]phenoxy]-N-(pyridin-4-ylmethyl)acetamide
CID 1266229
2-(4-tert-butylphenoxy)-N-{4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl}acetamide
CID 1320787
4-[(4-propoxybenzylidene)amino]-N-(2-pyridinyl)benzenesulfonamide
CID 1823125

Frequently Asked Questions

What is the IUPAC name of 2-(4-propan-2-ylphenoxy)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide?
The IUPAC name of 2-(4-propan-2-ylphenoxy)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide (CID 1078192) is 2-(4-propan-2-ylphenoxy)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide.
What is the SMILES notation for 2-(4-propan-2-ylphenoxy)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide?
The canonical SMILES for 2-(4-propan-2-ylphenoxy)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide is CC(C)c1ccc(OCC(=O)Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)cc1.
What is the InChIKey of 2-(4-propan-2-ylphenoxy)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide?
The InChIKey is CKNHMUUCKMEWHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O4S/c1-16(2)17-6-10-19(11-7-17)29-15-22(26)24-18-8-12-20(13-9-18)30(27,28)25-21-5-3-4-14-23-21/h3-14,16H,15H2,1-2H3,(H,23,25)(H,24,26).
What are the key properties of 2-(4-propan-2-ylphenoxy)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide?
2-(4-propan-2-ylphenoxy)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide has a molecular weight of 425.51 g/mol, XLogP of 4.02, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-propan-2-ylphenoxy)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide is sourced from PubChem (CID 1078192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).