(E)-N-[4-[(2-methoxy-5-methylphenyl)sulfamoyl]phenyl]-3-(4-methoxyphenyl)-2-phenylprop-2-enamide

C30H28N2O5S — CID 43881759

IUPAC(E)-N-[4-[(2-methoxy-5-methylphenyl)sulfamoyl]phenyl]-3-(4-methoxyphenyl)-2-phenylprop-2-enamide
SMILESCOc1ccc(/C=C(/C(=O)Nc2ccc(S(=O)(=O)Nc3cc(C)ccc3OC)cc2)c2ccccc2)cc1
InChIInChI=1S/C30H28N2O5S/c1-21-9-18-29(37-3)28(19-21)32-38(34,35)26-16-12-24(13-17-26)31-30(33)27(23-7-5-4-6-8-23)20-22-10-14-25(36-2)15-11-22/h4-20,32H,1-3H3,(H,31,33)/b27-20+
InChIKeyQGGLNXSIOIWPHB-NHFJDJAPSA-N
MW528.63 g/mol
LogP5.99
Rot. Bonds9

About (E)-N-[4-[(2-methoxy-5-methylphenyl)sulfamoyl]phenyl]-3-(4-methoxyphenyl)-2-phenylprop-2-enamide

(E)-N-[4-[(2-methoxy-5-methylphenyl)sulfamoyl]phenyl]-3-(4-methoxyphenyl)-2-phenylprop-2-enamide (PubChem CID 43881759) has the molecular formula C30H28N2O5S and a molecular weight of 528.63 g/mol. Its IUPAC name is (E)-N-[4-[(2-methoxy-5-methylphenyl)sulfamoyl]phenyl]-3-(4-methoxyphenyl)-2-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[4-[(2-methoxy-5-methylphenyl)sulfamoyl]phenyl]-3-(4-methoxyphenyl)-2-phenylprop-2-enamide
PubChem CID43881759
Molecular FormulaC30H28N2O5S
Molecular Weight528.63 g/mol
Exact Mass528.17
IUPAC Name(E)-N-[4-[(2-methoxy-5-methylphenyl)sulfamoyl]phenyl]-3-(4-methoxyphenyl)-2-phenylprop-2-enamide
SMILESCOc1ccc(/C=C(/C(=O)Nc2ccc(S(=O)(=O)Nc3cc(C)ccc3OC)cc2)c2ccccc2)cc1
InChIInChI=1S/C30H28N2O5S/c1-21-9-18-29(37-3)28(19-21)32-38(34,35)26-16-12-24(13-17-26)31-30(33)27(23-7-5-4-6-8-23)20-22-10-14-25(36-2)15-11-22/h4-20,32H,1-3H3,(H,31,33)/b27-20+
InChIKeyQGGLNXSIOIWPHB-NHFJDJAPSA-N
XLogP5.99
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500528.63
LogP ≤ 55.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-3-(4-methoxyphenyl)-2-phenylprop-2-enamide
CID 126180329
(E)-N-(2-methoxy-5-methylphenyl)-2,3-diphenylprop-2-enamide
CID 731540
(E)-N-(2,5-dimethylphenyl)-3-(4-methoxyphenyl)-2-phenylprop-2-enamide
CID 1321037
(E)-2-(4-methoxyphenyl)-N-(4-methylphenyl)-3-phenylprop-2-enamide
CID 175523541
(E)-N-(4-chlorophenyl)-3-(4-methoxyphenyl)-2-phenylprop-2-enamide
CID 1316041
(Z)-N-(4-chlorophenyl)-3-(4-methoxyphenyl)-2-phenylprop-2-enamide
CID 1316043
1-(4-methoxyphenyl)-3-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]thiourea
CID 19678993
(Z)-N-(2-methoxy-4-methylphenyl)-2,3-diphenylprop-2-enamide
CID 6140104
N-(4-ethoxyphenyl)-3-(4-methoxyphenyl)-2-phenylprop-2-enamide
CID 1316446
dimethyl (E)-2-[4-[(2-methoxy-5-methylphenyl)sulfamoyl]anilino]but-2-enedioate
CID 168569731
4-[benzenesulfonyl(methyl)amino]-N-[4-[(2-methoxy-5-methylphenyl)sulfamoyl]phenyl]benzamide
CID 1278404
1-(2,5-dimethylphenyl)-3-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]thiourea
CID 19679014

Frequently Asked Questions

What is the IUPAC name of (E)-N-[4-[(2-methoxy-5-methylphenyl)sulfamoyl]phenyl]-3-(4-methoxyphenyl)-2-phenylprop-2-enamide?
The IUPAC name of (E)-N-[4-[(2-methoxy-5-methylphenyl)sulfamoyl]phenyl]-3-(4-methoxyphenyl)-2-phenylprop-2-enamide (CID 43881759) is (E)-N-[4-[(2-methoxy-5-methylphenyl)sulfamoyl]phenyl]-3-(4-methoxyphenyl)-2-phenylprop-2-enamide.
What is the SMILES notation for (E)-N-[4-[(2-methoxy-5-methylphenyl)sulfamoyl]phenyl]-3-(4-methoxyphenyl)-2-phenylprop-2-enamide?
The canonical SMILES for (E)-N-[4-[(2-methoxy-5-methylphenyl)sulfamoyl]phenyl]-3-(4-methoxyphenyl)-2-phenylprop-2-enamide is COc1ccc(/C=C(/C(=O)Nc2ccc(S(=O)(=O)Nc3cc(C)ccc3OC)cc2)c2ccccc2)cc1.
What is the InChIKey of (E)-N-[4-[(2-methoxy-5-methylphenyl)sulfamoyl]phenyl]-3-(4-methoxyphenyl)-2-phenylprop-2-enamide?
The InChIKey is QGGLNXSIOIWPHB-NHFJDJAPSA-N. The full InChI is InChI=1S/C30H28N2O5S/c1-21-9-18-29(37-3)28(19-21)32-38(34,35)26-16-12-24(13-17-26)31-30(33)27(23-7-5-4-6-8-23)20-22-10-14-25(36-2)15-11-22/h4-20,32H,1-3H3,(H,31,33)/b27-20+.
What are the key properties of (E)-N-[4-[(2-methoxy-5-methylphenyl)sulfamoyl]phenyl]-3-(4-methoxyphenyl)-2-phenylprop-2-enamide?
(E)-N-[4-[(2-methoxy-5-methylphenyl)sulfamoyl]phenyl]-3-(4-methoxyphenyl)-2-phenylprop-2-enamide has a molecular weight of 528.63 g/mol, XLogP of 5.99, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[4-[(2-methoxy-5-methylphenyl)sulfamoyl]phenyl]-3-(4-methoxyphenyl)-2-phenylprop-2-enamide is sourced from PubChem (CID 43881759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).