N-[3-[[(E)-3-[4-(propan-2-ylsulfamoyl)phenyl]prop-2-enoyl]amino]phenyl]thiophene-2-carboxamide

C23H23N3O4S2 — CID 38973808

IUPACN-[3-[[(E)-3-[4-(propan-2-ylsulfamoyl)phenyl]prop-2-enoyl]amino]phenyl]thiophene-2-carboxamide
SMILESCC(C)NS(=O)(=O)c1ccc(/C=C/C(=O)Nc2cccc(NC(=O)c3cccs3)c2)cc1
InChIInChI=1S/C23H23N3O4S2/c1-16(2)26-32(29,30)20-11-8-17(9-12-20)10-13-22(27)24-18-5-3-6-19(15-18)25-23(28)21-7-4-14-31-21/h3-16,26H,1-2H3,(H,24,27)(H,25,28)/b13-10+
InChIKeyCIWINFZXTJOMNW-JLHYYAGUSA-N
MW469.59 g/mol
LogP4.34
Rot. Bonds8

About N-[3-[[(E)-3-[4-(propan-2-ylsulfamoyl)phenyl]prop-2-enoyl]amino]phenyl]thiophene-2-carboxamide

N-[3-[[(E)-3-[4-(propan-2-ylsulfamoyl)phenyl]prop-2-enoyl]amino]phenyl]thiophene-2-carboxamide (PubChem CID 38973808) has the molecular formula C23H23N3O4S2 and a molecular weight of 469.59 g/mol. Its IUPAC name is N-[3-[[(E)-3-[4-(propan-2-ylsulfamoyl)phenyl]prop-2-enoyl]amino]phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-[[(E)-3-[4-(propan-2-ylsulfamoyl)phenyl]prop-2-enoyl]amino]phenyl]thiophene-2-carboxamide
PubChem CID38973808
Molecular FormulaC23H23N3O4S2
Molecular Weight469.59 g/mol
Exact Mass469.11
IUPAC NameN-[3-[[(E)-3-[4-(propan-2-ylsulfamoyl)phenyl]prop-2-enoyl]amino]phenyl]thiophene-2-carboxamide
SMILESCC(C)NS(=O)(=O)c1ccc(/C=C/C(=O)Nc2cccc(NC(=O)c3cccs3)c2)cc1
InChIInChI=1S/C23H23N3O4S2/c1-16(2)26-32(29,30)20-11-8-17(9-12-20)10-13-22(27)24-18-5-3-6-19(15-18)25-23(28)21-7-4-14-31-21/h3-16,26H,1-2H3,(H,24,27)(H,25,28)/b13-10+
InChIKeyCIWINFZXTJOMNW-JLHYYAGUSA-N
XLogP4.34
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.59
LogP ≤ 54.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[[(E)-3-(4-methylphenyl)prop-2-enoyl]amino]phenyl]thiophene-2-carboxamide
CID 31520708
N-[3-[3-(4-chlorophenyl)prop-2-enoylamino]phenyl]thiophene-2-carboxamide
CID 1315625
N-[3-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino]phenyl]thiophene-2-carboxamide
CID 31520599
N-[4-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]thiophene-2-carboxamide
CID 5411250
[4-(thiophene-2-carbonylamino)phenyl] 4-(propan-2-ylsulfamoyl)benzoate
CID 35607726
N-[3-[[(E)-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enoyl]amino]phenyl]thiophene-2-carboxamide
CID 31516122
N-[3-[[(2S)-2-methylbutanoyl]amino]phenyl]thiophene-2-carboxamide
CID 7268815
3-methyl-2-[[4-[4-(thiophene-2-carbonylamino)phenyl]phenyl]sulfonylamino]butanoic acid
CID 68714126
N-[[4-(propan-2-ylsulfamoyl)phenyl]carbamothioyl]-3-thiophen-2-ylprop-2-enamide
CID 4924713
(E)-3-[4-(methylsulfamoyl)phenyl]-N-phenylprop-2-enamide
CID 51280623
N-(3-sulfamoylphenyl)thiophene-2-carboxamide
CID 2812289
(E)-N-[4-[[(2R)-butan-2-yl]sulfamoyl]phenyl]-3-phenylprop-2-enamide
CID 40597066

Frequently Asked Questions

What is the IUPAC name of N-[3-[[(E)-3-[4-(propan-2-ylsulfamoyl)phenyl]prop-2-enoyl]amino]phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[3-[[(E)-3-[4-(propan-2-ylsulfamoyl)phenyl]prop-2-enoyl]amino]phenyl]thiophene-2-carboxamide (CID 38973808) is N-[3-[[(E)-3-[4-(propan-2-ylsulfamoyl)phenyl]prop-2-enoyl]amino]phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[3-[[(E)-3-[4-(propan-2-ylsulfamoyl)phenyl]prop-2-enoyl]amino]phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[3-[[(E)-3-[4-(propan-2-ylsulfamoyl)phenyl]prop-2-enoyl]amino]phenyl]thiophene-2-carboxamide is CC(C)NS(=O)(=O)c1ccc(/C=C/C(=O)Nc2cccc(NC(=O)c3cccs3)c2)cc1.
What is the InChIKey of N-[3-[[(E)-3-[4-(propan-2-ylsulfamoyl)phenyl]prop-2-enoyl]amino]phenyl]thiophene-2-carboxamide?
The InChIKey is CIWINFZXTJOMNW-JLHYYAGUSA-N. The full InChI is InChI=1S/C23H23N3O4S2/c1-16(2)26-32(29,30)20-11-8-17(9-12-20)10-13-22(27)24-18-5-3-6-19(15-18)25-23(28)21-7-4-14-31-21/h3-16,26H,1-2H3,(H,24,27)(H,25,28)/b13-10+.
What are the key properties of N-[3-[[(E)-3-[4-(propan-2-ylsulfamoyl)phenyl]prop-2-enoyl]amino]phenyl]thiophene-2-carboxamide?
N-[3-[[(E)-3-[4-(propan-2-ylsulfamoyl)phenyl]prop-2-enoyl]amino]phenyl]thiophene-2-carboxamide has a molecular weight of 469.59 g/mol, XLogP of 4.34, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[(E)-3-[4-(propan-2-ylsulfamoyl)phenyl]prop-2-enoyl]amino]phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 38973808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).