N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-3-(4-propoxyphenyl)prop-2-enamide

C22H23N3O5S — CID 4194050

IUPACN-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-3-(4-propoxyphenyl)prop-2-enamide
SMILESCCCOc1ccc(C=CC(=O)Nc2ccc(S(=O)(=O)Nc3cc(C)on3)cc2)cc1
InChIInChI=1S/C22H23N3O5S/c1-3-14-29-19-9-4-17(5-10-19)6-13-22(26)23-18-7-11-20(12-8-18)31(27,28)25-21-15-16(2)30-24-21/h4-13,15H,3,14H2,1-2H3,(H,23,26)(H,24,25)
InChIKeyKDEBEZOGQKAJHL-UHFFFAOYSA-N
MW441.51 g/mol
LogP4.22
Rot. Bonds9

About N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-3-(4-propoxyphenyl)prop-2-enamide

N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-3-(4-propoxyphenyl)prop-2-enamide (PubChem CID 4194050) has the molecular formula C22H23N3O5S and a molecular weight of 441.51 g/mol. Its IUPAC name is N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-3-(4-propoxyphenyl)prop-2-enamide.

Molecular Properties

Compound NameN-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-3-(4-propoxyphenyl)prop-2-enamide
PubChem CID4194050
Molecular FormulaC22H23N3O5S
Molecular Weight441.51 g/mol
Exact Mass441.14
IUPAC NameN-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-3-(4-propoxyphenyl)prop-2-enamide
SMILESCCCOc1ccc(C=CC(=O)Nc2ccc(S(=O)(=O)Nc3cc(C)on3)cc2)cc1
InChIInChI=1S/C22H23N3O5S/c1-3-14-29-19-9-4-17(5-10-19)6-13-22(26)23-18-7-11-20(12-8-18)31(27,28)25-21-15-16(2)30-24-21/h4-13,15H,3,14H2,1-2H3,(H,23,26)(H,24,25)
InChIKeyKDEBEZOGQKAJHL-UHFFFAOYSA-N
XLogP4.22
TPSA110.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.51
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-3-(4-propoxyphenyl)prop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-3-(4-hexoxy-3-methoxyphenyl)-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]prop-2-enamide
CID 19185149
3-(4-butoxyphenyl)-N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]prop-2-enamide
CID 2792103
(E)-N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-3-(4-ethoxyphenyl)prop-2-enamide
CID 17227042
N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]decanamide
CID 19578382
(E)-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-3-thiophen-2-ylprop-2-enamide
CID 1144784
N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]butanamide
CID 697515
3-(4-fluorophenyl)-N-(4-propoxyphenyl)prop-2-enamide
CID 4943064
N-(4-fluorophenyl)-3-(4-propoxyphenyl)prop-2-enamide
CID 2791684
(E)-3-(4-chlorophenyl)-N-(4-propoxyphenyl)prop-2-enamide
CID 17195487
(E)-3-[3-bromo-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]prop-2-enamide
CID 53267357
methyl 4-[3-(4-propoxyphenyl)prop-2-enoylamino]benzoate
CID 3535563
N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-4-(2-phenylethoxy)benzamide
CID 4956376

Frequently Asked Questions

What is the IUPAC name of N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-3-(4-propoxyphenyl)prop-2-enamide?
The IUPAC name of N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-3-(4-propoxyphenyl)prop-2-enamide (CID 4194050) is N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-3-(4-propoxyphenyl)prop-2-enamide.
What is the SMILES notation for N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-3-(4-propoxyphenyl)prop-2-enamide?
The canonical SMILES for N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-3-(4-propoxyphenyl)prop-2-enamide is CCCOc1ccc(C=CC(=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]-3-(4-propoxyphenyl)prop-2-enamide?
The InChIKey is KDEBEZOGQKAJHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O5S/c1-3-14-29-19-9-4-17(5-10-19)6-13-22(26)23-18-7-11-20(12-8-18)31(27,28)25-21-15-16(2)30-24-21/h4-13,15H,3,14H2,1-2H3,(H,23,26)(H,24,25).
What are the key properties of N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-3-(4-propoxyphenyl)prop-2-enamide?
N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-3-(4-propoxyphenyl)prop-2-enamide has a molecular weight of 441.51 g/mol, XLogP of 4.22, 9 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]-3-(4-propoxyphenyl)prop-2-enamide is sourced from PubChem (CID 4194050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).