(E)-N-[5-[(2-methoxyphenyl)sulfamoyl]-2-methylphenyl]-3-thiophen-2-ylprop-2-enamide

C21H20N2O4S2 — CID 6235648

IUPAC(E)-N-[5-[(2-methoxyphenyl)sulfamoyl]-2-methylphenyl]-3-thiophen-2-ylprop-2-enamide
SMILESCOc1ccccc1NS(=O)(=O)c1ccc(C)c(NC(=O)/C=C/c2cccs2)c1
InChIInChI=1S/C21H20N2O4S2/c1-15-9-11-17(29(25,26)23-18-7-3-4-8-20(18)27-2)14-19(15)22-21(24)12-10-16-6-5-13-28-16/h3-14,23H,1-2H3,(H,22,24)/b12-10+
InChIKeyWTYRRXIAPFCREB-ZRDIBKRKSA-N
MW428.54 g/mol
LogP4.52
Rot. Bonds7

About (E)-N-[5-[(2-methoxyphenyl)sulfamoyl]-2-methylphenyl]-3-thiophen-2-ylprop-2-enamide

(E)-N-[5-[(2-methoxyphenyl)sulfamoyl]-2-methylphenyl]-3-thiophen-2-ylprop-2-enamide (PubChem CID 6235648) has the molecular formula C21H20N2O4S2 and a molecular weight of 428.54 g/mol. Its IUPAC name is (E)-N-[5-[(2-methoxyphenyl)sulfamoyl]-2-methylphenyl]-3-thiophen-2-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[5-[(2-methoxyphenyl)sulfamoyl]-2-methylphenyl]-3-thiophen-2-ylprop-2-enamide
PubChem CID6235648
Molecular FormulaC21H20N2O4S2
Molecular Weight428.54 g/mol
Exact Mass428.09
IUPAC Name(E)-N-[5-[(2-methoxyphenyl)sulfamoyl]-2-methylphenyl]-3-thiophen-2-ylprop-2-enamide
SMILESCOc1ccccc1NS(=O)(=O)c1ccc(C)c(NC(=O)/C=C/c2cccs2)c1
InChIInChI=1S/C21H20N2O4S2/c1-15-9-11-17(29(25,26)23-18-7-3-4-8-20(18)27-2)14-19(15)22-21(24)12-10-16-6-5-13-28-16/h3-14,23H,1-2H3,(H,22,24)/b12-10+
InChIKeyWTYRRXIAPFCREB-ZRDIBKRKSA-N
XLogP4.52
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.54
LogP ≤ 54.52
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

(E)-N-(5-fluoro-2-methylphenyl)-3-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]prop-2-enamide
CID 26696619
(E)-N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-3-thiophen-2-ylprop-2-enamide
CID 30390345
(E)-3-(2,4-dimethylphenyl)-N-[2-methoxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]prop-2-enamide
CID 24635981
(E)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-3-thiophen-2-ylprop-2-enamide
CID 6213936
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-3-thiophen-2-ylprop-2-enamide
CID 4810921
(E)-N-(2-methylphenyl)-3-thiophen-2-ylprop-2-enamide
CID 2146472
(E)-N-(2-methoxy-5-methylphenyl)-3-thiophen-2-ylprop-2-enamide
CID 887907
(E)-N-[2-methoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]-3-thiophen-2-ylprop-2-enamide
CID 9081709
(E)-N-(4-fluoro-2-methylphenyl)-3-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]prop-2-enamide
CID 26886402
(E)-N-(2,4-dimethylphenyl)-3-thiophen-2-ylprop-2-enamide
CID 922914
3-(2-fluorophenyl)-N-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]prop-2-enamide
CID 71904147
N-(2,3-dimethylphenyl)-3-thiophen-2-ylprop-2-enamide
CID 868674

Frequently Asked Questions

What is the IUPAC name of (E)-N-[5-[(2-methoxyphenyl)sulfamoyl]-2-methylphenyl]-3-thiophen-2-ylprop-2-enamide?
The IUPAC name of (E)-N-[5-[(2-methoxyphenyl)sulfamoyl]-2-methylphenyl]-3-thiophen-2-ylprop-2-enamide (CID 6235648) is (E)-N-[5-[(2-methoxyphenyl)sulfamoyl]-2-methylphenyl]-3-thiophen-2-ylprop-2-enamide.
What is the SMILES notation for (E)-N-[5-[(2-methoxyphenyl)sulfamoyl]-2-methylphenyl]-3-thiophen-2-ylprop-2-enamide?
The canonical SMILES for (E)-N-[5-[(2-methoxyphenyl)sulfamoyl]-2-methylphenyl]-3-thiophen-2-ylprop-2-enamide is COc1ccccc1NS(=O)(=O)c1ccc(C)c(NC(=O)/C=C/c2cccs2)c1.
What is the InChIKey of (E)-N-[5-[(2-methoxyphenyl)sulfamoyl]-2-methylphenyl]-3-thiophen-2-ylprop-2-enamide?
The InChIKey is WTYRRXIAPFCREB-ZRDIBKRKSA-N. The full InChI is InChI=1S/C21H20N2O4S2/c1-15-9-11-17(29(25,26)23-18-7-3-4-8-20(18)27-2)14-19(15)22-21(24)12-10-16-6-5-13-28-16/h3-14,23H,1-2H3,(H,22,24)/b12-10+.
What are the key properties of (E)-N-[5-[(2-methoxyphenyl)sulfamoyl]-2-methylphenyl]-3-thiophen-2-ylprop-2-enamide?
(E)-N-[5-[(2-methoxyphenyl)sulfamoyl]-2-methylphenyl]-3-thiophen-2-ylprop-2-enamide has a molecular weight of 428.54 g/mol, XLogP of 4.52, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[5-[(2-methoxyphenyl)sulfamoyl]-2-methylphenyl]-3-thiophen-2-ylprop-2-enamide is sourced from PubChem (CID 6235648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).