2-(3,4-dimethylphenoxy)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide

C21H21N3O4S — CID 1078194

IUPAC2-(3,4-dimethylphenoxy)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide
SMILESCc1ccc(OCC(=O)Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)cc1C
InChIInChI=1S/C21H21N3O4S/c1-15-6-9-18(13-16(15)2)28-14-21(25)23-17-7-10-19(11-8-17)29(26,27)24-20-5-3-4-12-22-20/h3-13H,14H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyCZBDDKWXAYEUDS-UHFFFAOYSA-N
MW411.48 g/mol
LogP3.52
Rot. Bonds7

About 2-(3,4-dimethylphenoxy)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide

2-(3,4-dimethylphenoxy)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide (PubChem CID 1078194) has the molecular formula C21H21N3O4S and a molecular weight of 411.48 g/mol. Its IUPAC name is 2-(3,4-dimethylphenoxy)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(3,4-dimethylphenoxy)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide
PubChem CID1078194
Molecular FormulaC21H21N3O4S
Molecular Weight411.48 g/mol
Exact Mass411.13
IUPAC Name2-(3,4-dimethylphenoxy)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide
SMILESCc1ccc(OCC(=O)Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)cc1C
InChIInChI=1S/C21H21N3O4S/c1-15-6-9-18(13-16(15)2)28-14-21(25)23-17-7-10-19(11-8-17)29(26,27)24-20-5-3-4-12-22-20/h3-13H,14H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyCZBDDKWXAYEUDS-UHFFFAOYSA-N
XLogP3.52
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.48
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

MRGPRX1 agonist 1
CID 139030531
2-(4-Isopropyl-phenoxy)-N-[4-(pyridin-2-ylsulfamoyl)-phenyl]-acetamide
CID 1078192
2-(3,5-dimethylphenoxy)-N-{4-[(2-pyridinylamino)sulfonyl]phenyl}acetamide
CID 1078193
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
N-[4-(2,6-Dimethoxy-pyrimidin-4-ylsulfamoyl)-phenyl]-2-m-tolyloxy-acetamide
CID 1144624
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
4-[(4-propoxybenzylidene)amino]-N-(2-pyridinyl)benzenesulfonamide
CID 1823125

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenoxy)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide?
The IUPAC name of 2-(3,4-dimethylphenoxy)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide (CID 1078194) is 2-(3,4-dimethylphenoxy)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide.
What is the SMILES notation for 2-(3,4-dimethylphenoxy)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide?
The canonical SMILES for 2-(3,4-dimethylphenoxy)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide is Cc1ccc(OCC(=O)Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)cc1C.
What is the InChIKey of 2-(3,4-dimethylphenoxy)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide?
The InChIKey is CZBDDKWXAYEUDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O4S/c1-15-6-9-18(13-16(15)2)28-14-21(25)23-17-7-10-19(11-8-17)29(26,27)24-20-5-3-4-12-22-20/h3-13H,14H2,1-2H3,(H,22,24)(H,23,25).
What are the key properties of 2-(3,4-dimethylphenoxy)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide?
2-(3,4-dimethylphenoxy)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide has a molecular weight of 411.48 g/mol, XLogP of 3.52, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenoxy)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide is sourced from PubChem (CID 1078194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).