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

C20H21N3O5S — CID 2979403

IUPACN-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-2-(4-methylphenoxy)propanamide
SMILESCc1ccc(OC(C)C(=O)Nc2ccc(S(=O)(=O)Nc3cc(C)on3)cc2)cc1
InChIInChI=1S/C20H21N3O5S/c1-13-4-8-17(9-5-13)27-15(3)20(24)21-16-6-10-18(11-7-16)29(25,26)23-19-12-14(2)28-22-19/h4-12,15H,1-3H3,(H,21,24)(H,22,23)
InChIKeyTVSSEFPOVPCTFB-UHFFFAOYSA-N
MW415.47 g/mol
LogP3.50
Rot. Bonds7

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

N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-2-(4-methylphenoxy)propanamide (PubChem CID 2979403) has the molecular formula C20H21N3O5S and a molecular weight of 415.47 g/mol. Its IUPAC name is N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-2-(4-methylphenoxy)propanamide.

Molecular Properties

Compound NameN-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-2-(4-methylphenoxy)propanamide
PubChem CID2979403
Molecular FormulaC20H21N3O5S
Molecular Weight415.47 g/mol
Exact Mass415.12
IUPAC NameN-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-2-(4-methylphenoxy)propanamide
SMILESCc1ccc(OC(C)C(=O)Nc2ccc(S(=O)(=O)Nc3cc(C)on3)cc2)cc1
InChIInChI=1S/C20H21N3O5S/c1-13-4-8-17(9-5-13)27-15(3)20(24)21-16-6-10-18(11-7-16)29(25,26)23-19-12-14(2)28-22-19/h4-12,15H,1-3H3,(H,21,24)(H,22,23)
InChIKeyTVSSEFPOVPCTFB-UHFFFAOYSA-N
XLogP3.50
TPSA110.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.47
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-2-(4-methylphenoxy)propanamide?
The IUPAC name of N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-2-(4-methylphenoxy)propanamide (CID 2979403) is N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-2-(4-methylphenoxy)propanamide.
What is the SMILES notation for N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-2-(4-methylphenoxy)propanamide?
The canonical SMILES for N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-2-(4-methylphenoxy)propanamide is Cc1ccc(OC(C)C(=O)Nc2ccc(S(=O)(=O)Nc3cc(C)on3)cc2)cc1.
What is the InChIKey of N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-2-(4-methylphenoxy)propanamide?
The InChIKey is TVSSEFPOVPCTFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O5S/c1-13-4-8-17(9-5-13)27-15(3)20(24)21-16-6-10-18(11-7-16)29(25,26)23-19-12-14(2)28-22-19/h4-12,15H,1-3H3,(H,21,24)(H,22,23).
What are the key properties of N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-2-(4-methylphenoxy)propanamide?
N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-2-(4-methylphenoxy)propanamide has a molecular weight of 415.47 g/mol, XLogP of 3.50, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-2-(4-methylphenoxy)propanamide is sourced from PubChem (CID 2979403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).