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

C18H16ClN3O5S — CID 1014099

IUPAC2-(2-chlorophenoxy)-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]acetamide
SMILESCc1cc(NS(=O)(=O)c2ccc(NC(=O)COc3ccccc3Cl)cc2)no1
InChIInChI=1S/C18H16ClN3O5S/c1-12-10-17(21-27-12)22-28(24,25)14-8-6-13(7-9-14)20-18(23)11-26-16-5-3-2-4-15(16)19/h2-10H,11H2,1H3,(H,20,23)(H,21,22)
InChIKeyVMNVSBAQPWCOGU-UHFFFAOYSA-N
MW421.86 g/mol
LogP3.45
Rot. Bonds7

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

2-(2-chlorophenoxy)-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]acetamide (PubChem CID 1014099) has the molecular formula C18H16ClN3O5S and a molecular weight of 421.86 g/mol. Its IUPAC name is 2-(2-chlorophenoxy)-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound Name2-(2-chlorophenoxy)-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]acetamide
PubChem CID1014099
Molecular FormulaC18H16ClN3O5S
Molecular Weight421.86 g/mol
Exact Mass421.05
IUPAC Name2-(2-chlorophenoxy)-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]acetamide
SMILESCc1cc(NS(=O)(=O)c2ccc(NC(=O)COc3ccccc3Cl)cc2)no1
InChIInChI=1S/C18H16ClN3O5S/c1-12-10-17(21-27-12)22-28(24,25)14-8-6-13(7-9-14)20-18(23)11-26-16-5-3-2-4-15(16)19/h2-10H,11H2,1H3,(H,20,23)(H,21,22)
InChIKeyVMNVSBAQPWCOGU-UHFFFAOYSA-N
XLogP3.45
TPSA110.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.86
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenoxy)-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]acetamide?
The IUPAC name of 2-(2-chlorophenoxy)-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]acetamide (CID 1014099) is 2-(2-chlorophenoxy)-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]acetamide.
What is the SMILES notation for 2-(2-chlorophenoxy)-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]acetamide?
The canonical SMILES for 2-(2-chlorophenoxy)-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]acetamide is Cc1cc(NS(=O)(=O)c2ccc(NC(=O)COc3ccccc3Cl)cc2)no1.
What is the InChIKey of 2-(2-chlorophenoxy)-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]acetamide?
The InChIKey is VMNVSBAQPWCOGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O5S/c1-12-10-17(21-27-12)22-28(24,25)14-8-6-13(7-9-14)20-18(23)11-26-16-5-3-2-4-15(16)19/h2-10H,11H2,1H3,(H,20,23)(H,21,22).
What are the key properties of 2-(2-chlorophenoxy)-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]acetamide?
2-(2-chlorophenoxy)-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]acetamide has a molecular weight of 421.86 g/mol, XLogP of 3.45, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenoxy)-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 1014099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).