(E)-3-(2,4-dimethoxyphenyl)-N-(2,3-dimethyl-5-sulfamoylphenyl)prop-2-enamide

C19H22N2O5S — CID 9141397

IUPAC(E)-3-(2,4-dimethoxyphenyl)-N-(2,3-dimethyl-5-sulfamoylphenyl)prop-2-enamide
SMILESCOc1ccc(/C=C/C(=O)Nc2cc(S(N)(=O)=O)cc(C)c2C)c(OC)c1
InChIInChI=1S/C19H22N2O5S/c1-12-9-16(27(20,23)24)11-17(13(12)2)21-19(22)8-6-14-5-7-15(25-3)10-18(14)26-4/h5-11H,1-4H3,(H,21,22)(H2,20,23,24)/b8-6+
InChIKeyVQYFNKADHINCRW-SOFGYWHQSA-N
MW390.46 g/mol
LogP2.62
Rot. Bonds6

About (E)-3-(2,4-dimethoxyphenyl)-N-(2,3-dimethyl-5-sulfamoylphenyl)prop-2-enamide

(E)-3-(2,4-dimethoxyphenyl)-N-(2,3-dimethyl-5-sulfamoylphenyl)prop-2-enamide (PubChem CID 9141397) has the molecular formula C19H22N2O5S and a molecular weight of 390.46 g/mol. Its IUPAC name is (E)-3-(2,4-dimethoxyphenyl)-N-(2,3-dimethyl-5-sulfamoylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2,4-dimethoxyphenyl)-N-(2,3-dimethyl-5-sulfamoylphenyl)prop-2-enamide
PubChem CID9141397
Molecular FormulaC19H22N2O5S
Molecular Weight390.46 g/mol
Exact Mass390.12
IUPAC Name(E)-3-(2,4-dimethoxyphenyl)-N-(2,3-dimethyl-5-sulfamoylphenyl)prop-2-enamide
SMILESCOc1ccc(/C=C/C(=O)Nc2cc(S(N)(=O)=O)cc(C)c2C)c(OC)c1
InChIInChI=1S/C19H22N2O5S/c1-12-9-16(27(20,23)24)11-17(13(12)2)21-19(22)8-6-14-5-7-15(25-3)10-18(14)26-4/h5-11H,1-4H3,(H,21,22)(H2,20,23,24)/b8-6+
InChIKeyVQYFNKADHINCRW-SOFGYWHQSA-N
XLogP2.62
TPSA107.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.46
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2,3-dimethyl-5-sulfamoylphenyl)-2,5-dimethoxybenzamide
CID 9141653
(E)-N-(2,3-dimethyl-5-sulfamoylphenyl)-3-(4-methylphenyl)prop-2-enamide
CID 9141564
(E)-N-(2,3-dimethyl-5-sulfamoylphenyl)-3-naphthalen-1-ylprop-2-enamide
CID 55506917
(E)-N-(2,3-dimethyl-5-sulfamoylphenyl)-3-(3-methylphenyl)prop-2-enamide
CID 9141685
1-[[(E)-3-(2,4-dimethoxyphenyl)prop-2-enoyl]amino]-3-(2,3-dimethylphenyl)thiourea
CID 7923434
(E)-N-[2-(difluoromethylsulfonyl)phenyl]-3-(2,4-dimethoxyphenyl)prop-2-enamide
CID 55340337
(E)-3-(3,4-dichlorophenyl)-N-(2,3-dimethyl-5-sulfamoylphenyl)prop-2-enamide
CID 9141558
(E)-N-(2,4-dimethoxyphenyl)-3-(4-methoxy-2,6-dimethylphenyl)prop-2-enamide
CID 84552012
(E)-3-(2,5-dimethoxyphenyl)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]prop-2-enamide
CID 7689072
(E)-N-(2,3-dimethyl-5-sulfamoylphenyl)-3-(3-fluorophenyl)prop-2-enamide
CID 9141393
(E)-N-(4,5-dimethoxy-2-methylphenyl)-3-(2,5-dimethoxyphenyl)prop-2-enamide
CID 7751129
3-(2,4-dimethoxyphenyl)-N-(2-methoxy-5-nitrophenyl)prop-2-enamide
CID 1178404

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2,4-dimethoxyphenyl)-N-(2,3-dimethyl-5-sulfamoylphenyl)prop-2-enamide?
The IUPAC name of (E)-3-(2,4-dimethoxyphenyl)-N-(2,3-dimethyl-5-sulfamoylphenyl)prop-2-enamide (CID 9141397) is (E)-3-(2,4-dimethoxyphenyl)-N-(2,3-dimethyl-5-sulfamoylphenyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(2,4-dimethoxyphenyl)-N-(2,3-dimethyl-5-sulfamoylphenyl)prop-2-enamide?
The canonical SMILES for (E)-3-(2,4-dimethoxyphenyl)-N-(2,3-dimethyl-5-sulfamoylphenyl)prop-2-enamide is COc1ccc(/C=C/C(=O)Nc2cc(S(N)(=O)=O)cc(C)c2C)c(OC)c1.
What is the InChIKey of (E)-3-(2,4-dimethoxyphenyl)-N-(2,3-dimethyl-5-sulfamoylphenyl)prop-2-enamide?
The InChIKey is VQYFNKADHINCRW-SOFGYWHQSA-N. The full InChI is InChI=1S/C19H22N2O5S/c1-12-9-16(27(20,23)24)11-17(13(12)2)21-19(22)8-6-14-5-7-15(25-3)10-18(14)26-4/h5-11H,1-4H3,(H,21,22)(H2,20,23,24)/b8-6+.
What are the key properties of (E)-3-(2,4-dimethoxyphenyl)-N-(2,3-dimethyl-5-sulfamoylphenyl)prop-2-enamide?
(E)-3-(2,4-dimethoxyphenyl)-N-(2,3-dimethyl-5-sulfamoylphenyl)prop-2-enamide has a molecular weight of 390.46 g/mol, XLogP of 2.62, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2,4-dimethoxyphenyl)-N-(2,3-dimethyl-5-sulfamoylphenyl)prop-2-enamide is sourced from PubChem (CID 9141397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).