2-(4-chloro-3-methylphenoxy)-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]acetamide

C19H18ClN3O5S — CID 1088168

IUPAC2-(4-chloro-3-methylphenoxy)-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]acetamide
SMILESCc1cc(NS(=O)(=O)c2ccc(NC(=O)COc3ccc(Cl)c(C)c3)cc2)no1
InChIInChI=1S/C19H18ClN3O5S/c1-12-9-15(5-8-17(12)20)27-11-19(24)21-14-3-6-16(7-4-14)29(25,26)23-18-10-13(2)28-22-18/h3-10H,11H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyJTMCMPVEOCZBRC-UHFFFAOYSA-N
MW435.89 g/mol
LogP3.76
Rot. Bonds7

About 2-(4-chloro-3-methylphenoxy)-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]acetamide

2-(4-chloro-3-methylphenoxy)-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]acetamide (PubChem CID 1088168) has the molecular formula C19H18ClN3O5S and a molecular weight of 435.89 g/mol. Its IUPAC name is 2-(4-chloro-3-methylphenoxy)-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound Name2-(4-chloro-3-methylphenoxy)-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]acetamide
PubChem CID1088168
Molecular FormulaC19H18ClN3O5S
Molecular Weight435.89 g/mol
Exact Mass435.07
IUPAC Name2-(4-chloro-3-methylphenoxy)-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]acetamide
SMILESCc1cc(NS(=O)(=O)c2ccc(NC(=O)COc3ccc(Cl)c(C)c3)cc2)no1
InChIInChI=1S/C19H18ClN3O5S/c1-12-9-15(5-8-17(12)20)27-11-19(24)21-14-3-6-16(7-4-14)29(25,26)23-18-10-13(2)28-22-18/h3-10H,11H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyJTMCMPVEOCZBRC-UHFFFAOYSA-N
XLogP3.76
TPSA110.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.89
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-methylphenoxy)-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]acetamide?
The IUPAC name of 2-(4-chloro-3-methylphenoxy)-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]acetamide (CID 1088168) is 2-(4-chloro-3-methylphenoxy)-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]acetamide.
What is the SMILES notation for 2-(4-chloro-3-methylphenoxy)-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]acetamide?
The canonical SMILES for 2-(4-chloro-3-methylphenoxy)-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]acetamide is Cc1cc(NS(=O)(=O)c2ccc(NC(=O)COc3ccc(Cl)c(C)c3)cc2)no1.
What is the InChIKey of 2-(4-chloro-3-methylphenoxy)-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]acetamide?
The InChIKey is JTMCMPVEOCZBRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O5S/c1-12-9-15(5-8-17(12)20)27-11-19(24)21-14-3-6-16(7-4-14)29(25,26)23-18-10-13(2)28-22-18/h3-10H,11H2,1-2H3,(H,21,24)(H,22,23).
What are the key properties of 2-(4-chloro-3-methylphenoxy)-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]acetamide?
2-(4-chloro-3-methylphenoxy)-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]acetamide has a molecular weight of 435.89 g/mol, XLogP of 3.76, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-methylphenoxy)-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 1088168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).