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

C17H18N2O5S — CID 1178394

IUPAC(E)-3-(2,4-dimethoxyphenyl)-N-(4-sulfamoylphenyl)prop-2-enamide
SMILESCOc1ccc(/C=C/C(=O)Nc2ccc(S(N)(=O)=O)cc2)c(OC)c1
InChIInChI=1S/C17H18N2O5S/c1-23-14-7-3-12(16(11-14)24-2)4-10-17(20)19-13-5-8-15(9-6-13)25(18,21)22/h3-11H,1-2H3,(H,19,20)(H2,18,21,22)/b10-4+
InChIKeyNHTNTGHXVCAXJM-ONNFQVAWSA-N
MW362.41 g/mol
LogP2.00
Rot. Bonds6

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

(E)-3-(2,4-dimethoxyphenyl)-N-(4-sulfamoylphenyl)prop-2-enamide (PubChem CID 1178394) has the molecular formula C17H18N2O5S and a molecular weight of 362.41 g/mol. Its IUPAC name is (E)-3-(2,4-dimethoxyphenyl)-N-(4-sulfamoylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2,4-dimethoxyphenyl)-N-(4-sulfamoylphenyl)prop-2-enamide
PubChem CID1178394
Molecular FormulaC17H18N2O5S
Molecular Weight362.41 g/mol
Exact Mass362.09
IUPAC Name(E)-3-(2,4-dimethoxyphenyl)-N-(4-sulfamoylphenyl)prop-2-enamide
SMILESCOc1ccc(/C=C/C(=O)Nc2ccc(S(N)(=O)=O)cc2)c(OC)c1
InChIInChI=1S/C17H18N2O5S/c1-23-14-7-3-12(16(11-14)24-2)4-10-17(20)19-13-5-8-15(9-6-13)25(18,21)22/h3-11H,1-2H3,(H,19,20)(H2,18,21,22)/b10-4+
InChIKeyNHTNTGHXVCAXJM-ONNFQVAWSA-N
XLogP2.00
TPSA107.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.41
LogP ≤ 52.00
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

2-(4-methoxyphenyl)-N-(4-sulfamoylphenyl)acetamide
CID 822776
(2E)-3-(3,4-dimethoxyphenyl)-N-(4-sulfamoylphenyl)prop-2-enamide
CID 1294363
6-butyl-3-[4-(5-chloro-2-oxo-1-pyridinyl)phenyl]sulfonyl-5-(2,6-dimethoxyphenyl)-4-hydroxy-1H-pyridin-2-one
CID 132248099
6-butyl-5-(2,6-dimethoxyphenyl)-4-hydroxy-3-[4-(2-oxo-1-pyridinyl)phenyl]sulfonyl-1H-pyridin-2-one
CID 146222398
N-[2-methoxy-5-[[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonylmethyl]phenyl]acetamide
CID 10025975
2-(7-Methoxy-2-Oxo-2h-Chromen-4-Yl)-N-(4-Sulfamoylphenyl)acetamide
CID 41180562
(2E)-2-cyano-3-(2-methoxyphenyl)-N-(4-sulfamoylphenyl)prop-2-enamide
CID 1070922
(E)-2-cyano-N-(4-sulfamoylphenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 8281641
(E)-2-cyano-N-(4-sulfamoylphenyl)-3-(2,4,5-trimethoxyphenyl)prop-2-enamide
CID 8866559
(2E)-2-cyano-3-(4-methoxyphenyl)-N-(4-sulfamoylphenyl)prop-2-enamide
CID 17371280
(E)-3-[2-(difluoromethoxy)phenyl]-N-(4-sulfamoylphenyl)prop-2-enamide
CID 25981084
(E)-2-cyano-N-(4-sulfamoylphenyl)-3-(2,4,6-trimethoxyphenyl)prop-2-enamide
CID 71578500

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2,4-dimethoxyphenyl)-N-(4-sulfamoylphenyl)prop-2-enamide?
The IUPAC name of (E)-3-(2,4-dimethoxyphenyl)-N-(4-sulfamoylphenyl)prop-2-enamide (CID 1178394) is (E)-3-(2,4-dimethoxyphenyl)-N-(4-sulfamoylphenyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(2,4-dimethoxyphenyl)-N-(4-sulfamoylphenyl)prop-2-enamide?
The canonical SMILES for (E)-3-(2,4-dimethoxyphenyl)-N-(4-sulfamoylphenyl)prop-2-enamide is COc1ccc(/C=C/C(=O)Nc2ccc(S(N)(=O)=O)cc2)c(OC)c1.
What is the InChIKey of (E)-3-(2,4-dimethoxyphenyl)-N-(4-sulfamoylphenyl)prop-2-enamide?
The InChIKey is NHTNTGHXVCAXJM-ONNFQVAWSA-N. The full InChI is InChI=1S/C17H18N2O5S/c1-23-14-7-3-12(16(11-14)24-2)4-10-17(20)19-13-5-8-15(9-6-13)25(18,21)22/h3-11H,1-2H3,(H,19,20)(H2,18,21,22)/b10-4+.
What are the key properties of (E)-3-(2,4-dimethoxyphenyl)-N-(4-sulfamoylphenyl)prop-2-enamide?
(E)-3-(2,4-dimethoxyphenyl)-N-(4-sulfamoylphenyl)prop-2-enamide has a molecular weight of 362.41 g/mol, XLogP of 2.00, 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-(4-sulfamoylphenyl)prop-2-enamide is sourced from PubChem (CID 1178394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).