3-(2,4-dimethoxyphenyl)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]prop-2-enamide

C22H21N3O5S — CID 5044633

IUPAC3-(2,4-dimethoxyphenyl)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]prop-2-enamide
SMILESCOc1ccc(C=CC(=O)Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)c(OC)c1
InChIInChI=1S/C22H21N3O5S/c1-29-18-10-6-16(20(15-18)30-2)7-13-22(26)24-17-8-11-19(12-9-17)31(27,28)25-21-5-3-4-14-23-21/h3-15H,1-2H3,(H,23,25)(H,24,26)
InChIKeyPVDPPHHKQDTOIM-UHFFFAOYSA-N
MW439.49 g/mol
LogP3.55
Rot. Bonds8

About 3-(2,4-dimethoxyphenyl)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]prop-2-enamide

3-(2,4-dimethoxyphenyl)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]prop-2-enamide (PubChem CID 5044633) has the molecular formula C22H21N3O5S and a molecular weight of 439.49 g/mol. Its IUPAC name is 3-(2,4-dimethoxyphenyl)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]prop-2-enamide.

Molecular Properties

Compound Name3-(2,4-dimethoxyphenyl)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]prop-2-enamide
PubChem CID5044633
Molecular FormulaC22H21N3O5S
Molecular Weight439.49 g/mol
Exact Mass439.12
IUPAC Name3-(2,4-dimethoxyphenyl)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]prop-2-enamide
SMILESCOc1ccc(C=CC(=O)Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)c(OC)c1
InChIInChI=1S/C22H21N3O5S/c1-29-18-10-6-16(20(15-18)30-2)7-13-22(26)24-17-8-11-19(12-9-17)31(27,28)25-21-5-3-4-14-23-21/h3-15H,1-2H3,(H,23,25)(H,24,26)
InChIKeyPVDPPHHKQDTOIM-UHFFFAOYSA-N
XLogP3.55
TPSA106.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.49
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-(2-methoxyphenyl)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]prop-2-enamide
CID 4684839
3-(2-methoxyphenyl)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]prop-2-enamide
CID 5114432
3-[3-methoxy-4-(3-methylbutoxy)phenyl]-N-[4-(pyridin-2-ylsulfamoyl)phenyl]prop-2-enamide
CID 5044327
3-(2-methoxyphenyl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]prop-2-enamide
CID 1182198
N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-3-(2-methoxyphenyl)prop-2-enamide
CID 3982456
2-(4-methoxyphenoxy)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide
CID 1078187
2-(2-tert-butyl-4-methoxyphenoxy)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide
CID 35271119
(E)-3-(2,4-dimethoxyphenyl)-N-[4-[(6-phenylpyrimidin-4-yl)amino]phenyl]prop-2-enamide
CID 108766951
N-(4-cyanophenyl)-3-(2,4-dimethoxyphenyl)prop-2-enamide
CID 3516334
4-[(2-hydroxy-4-methoxyphenyl)methylideneamino]-N-pyridin-2-ylbenzenesulfonamide
CID 135860245
N-[4-[[(E)-3-(2,4-dimethoxyphenyl)prop-2-enoyl]amino]phenyl]-3-methylbutanamide
CID 33027219
(E)-N-(2,3-dihydro-1H-inden-5-yl)-3-(2,4-dimethoxyphenyl)prop-2-enamide
CID 7749728

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethoxyphenyl)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]prop-2-enamide?
The IUPAC name of 3-(2,4-dimethoxyphenyl)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]prop-2-enamide (CID 5044633) is 3-(2,4-dimethoxyphenyl)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]prop-2-enamide.
What is the SMILES notation for 3-(2,4-dimethoxyphenyl)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]prop-2-enamide?
The canonical SMILES for 3-(2,4-dimethoxyphenyl)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]prop-2-enamide is COc1ccc(C=CC(=O)Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)c(OC)c1.
What is the InChIKey of 3-(2,4-dimethoxyphenyl)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]prop-2-enamide?
The InChIKey is PVDPPHHKQDTOIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O5S/c1-29-18-10-6-16(20(15-18)30-2)7-13-22(26)24-17-8-11-19(12-9-17)31(27,28)25-21-5-3-4-14-23-21/h3-15H,1-2H3,(H,23,25)(H,24,26).
What are the key properties of 3-(2,4-dimethoxyphenyl)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]prop-2-enamide?
3-(2,4-dimethoxyphenyl)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]prop-2-enamide has a molecular weight of 439.49 g/mol, XLogP of 3.55, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethoxyphenyl)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]prop-2-enamide is sourced from PubChem (CID 5044633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).