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

C19H18ClN3O5S — CID 5022034

IUPAC2-(4-chlorophenoxy)-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]propanamide
SMILESCc1cc(NS(=O)(=O)c2ccc(NC(=O)C(C)Oc3ccc(Cl)cc3)cc2)no1
InChIInChI=1S/C19H18ClN3O5S/c1-12-11-18(22-28-12)23-29(25,26)17-9-5-15(6-10-17)21-19(24)13(2)27-16-7-3-14(20)4-8-16/h3-11,13H,1-2H3,(H,21,24)(H,22,23)
InChIKeyUTSZWNHJYWXBEE-UHFFFAOYSA-N
MW435.89 g/mol
LogP3.84
Rot. Bonds7

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

2-(4-chlorophenoxy)-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]propanamide (PubChem CID 5022034) has the molecular formula C19H18ClN3O5S and a molecular weight of 435.89 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]propanamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]propanamide
PubChem CID5022034
Molecular FormulaC19H18ClN3O5S
Molecular Weight435.89 g/mol
Exact Mass435.07
IUPAC Name2-(4-chlorophenoxy)-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]propanamide
SMILESCc1cc(NS(=O)(=O)c2ccc(NC(=O)C(C)Oc3ccc(Cl)cc3)cc2)no1
InChIInChI=1S/C19H18ClN3O5S/c1-12-11-18(22-28-12)23-29(25,26)17-9-5-15(6-10-17)21-19(24)13(2)27-16-7-3-14(20)4-8-16/h3-11,13H,1-2H3,(H,21,24)(H,22,23)
InChIKeyUTSZWNHJYWXBEE-UHFFFAOYSA-N
XLogP3.84
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 ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]propanamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]propanamide (CID 5022034) is 2-(4-chlorophenoxy)-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]propanamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]propanamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]propanamide is Cc1cc(NS(=O)(=O)c2ccc(NC(=O)C(C)Oc3ccc(Cl)cc3)cc2)no1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]propanamide?
The InChIKey is UTSZWNHJYWXBEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O5S/c1-12-11-18(22-28-12)23-29(25,26)17-9-5-15(6-10-17)21-19(24)13(2)27-16-7-3-14(20)4-8-16/h3-11,13H,1-2H3,(H,21,24)(H,22,23).
What are the key properties of 2-(4-chlorophenoxy)-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]propanamide?
2-(4-chlorophenoxy)-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]propanamide has a molecular weight of 435.89 g/mol, XLogP of 3.84, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]propanamide is sourced from PubChem (CID 5022034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).