[4-(thiophene-2-carbonylamino)phenyl] (E)-3-[4-(cyclopropylsulfamoyl)phenyl]prop-2-enoate

C23H20N2O5S2 — CID 38959218

IUPAC[4-(thiophene-2-carbonylamino)phenyl] (E)-3-[4-(cyclopropylsulfamoyl)phenyl]prop-2-enoate
SMILESO=C(/C=C/c1ccc(S(=O)(=O)NC2CC2)cc1)Oc1ccc(NC(=O)c2cccs2)cc1
InChIInChI=1S/C23H20N2O5S2/c26-22(14-5-16-3-12-20(13-4-16)32(28,29)25-18-6-7-18)30-19-10-8-17(9-11-19)24-23(27)21-2-1-15-31-21/h1-5,8-15,18,25H,6-7H2,(H,24,27)/b14-5+
InChIKeyBVKGXAQEKXLGEZ-LHHJGKSTSA-N
MW468.56 g/mol
LogP4.06
Rot. Bonds8

About [4-(thiophene-2-carbonylamino)phenyl] (E)-3-[4-(cyclopropylsulfamoyl)phenyl]prop-2-enoate

[4-(thiophene-2-carbonylamino)phenyl] (E)-3-[4-(cyclopropylsulfamoyl)phenyl]prop-2-enoate (PubChem CID 38959218) has the molecular formula C23H20N2O5S2 and a molecular weight of 468.56 g/mol. Its IUPAC name is [4-(thiophene-2-carbonylamino)phenyl] (E)-3-[4-(cyclopropylsulfamoyl)phenyl]prop-2-enoate.

Molecular Properties

Compound Name[4-(thiophene-2-carbonylamino)phenyl] (E)-3-[4-(cyclopropylsulfamoyl)phenyl]prop-2-enoate
PubChem CID38959218
Molecular FormulaC23H20N2O5S2
Molecular Weight468.56 g/mol
Exact Mass468.08
IUPAC Name[4-(thiophene-2-carbonylamino)phenyl] (E)-3-[4-(cyclopropylsulfamoyl)phenyl]prop-2-enoate
SMILESO=C(/C=C/c1ccc(S(=O)(=O)NC2CC2)cc1)Oc1ccc(NC(=O)c2cccs2)cc1
InChIInChI=1S/C23H20N2O5S2/c26-22(14-5-16-3-12-20(13-4-16)32(28,29)25-18-6-7-18)30-19-10-8-17(9-11-19)24-23(27)21-2-1-15-31-21/h1-5,8-15,18,25H,6-7H2,(H,24,27)/b14-5+
InChIKeyBVKGXAQEKXLGEZ-LHHJGKSTSA-N
XLogP4.06
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.56
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[4-(thiophene-2-carbonylamino)phenyl] (E)-3-pyridin-2-ylprop-2-enoate
CID 87023750
[4-(thiophene-2-carbonylamino)phenyl] 4-(propan-2-ylsulfamoyl)benzoate
CID 35607726
N-[4-[3-(4-methoxyphenyl)prop-2-enoyl]phenyl]thiophene-2-carboxamide
CID 3119793
[4-(thiophene-2-carbonylamino)phenyl] (E)-3-[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]prop-2-enoate
CID 32981995
[4-(thiophene-2-carbonylamino)phenyl] (E)-3-(1,3-benzoxazol-2-yl)prop-2-enoate
CID 36668662
N-[4-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]thiophene-2-carboxamide
CID 5411250
(4-acetamidophenyl) (E)-3-[4-(cyclopropylcarbamoyl)phenyl]prop-2-enoate
CID 35737555
4-(thiophene-2-carbonylamino)benzenesulfonyl chloride
CID 15384313
N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]thiophene-2-carboxamide
CID 94151005
N-[3-[[(E)-3-[4-(propan-2-ylsulfamoyl)phenyl]prop-2-enoyl]amino]phenyl]thiophene-2-carboxamide
CID 38973808
[4-(thiophene-2-carbonylamino)phenyl] pyridine-4-carboxylate
CID 34734309
[4-(thiophene-2-carbonylamino)phenyl] (1R)-cyclohex-3-ene-1-carboxylate
CID 31493553

Frequently Asked Questions

What is the IUPAC name of [4-(thiophene-2-carbonylamino)phenyl] (E)-3-[4-(cyclopropylsulfamoyl)phenyl]prop-2-enoate?
The IUPAC name of [4-(thiophene-2-carbonylamino)phenyl] (E)-3-[4-(cyclopropylsulfamoyl)phenyl]prop-2-enoate (CID 38959218) is [4-(thiophene-2-carbonylamino)phenyl] (E)-3-[4-(cyclopropylsulfamoyl)phenyl]prop-2-enoate.
What is the SMILES notation for [4-(thiophene-2-carbonylamino)phenyl] (E)-3-[4-(cyclopropylsulfamoyl)phenyl]prop-2-enoate?
The canonical SMILES for [4-(thiophene-2-carbonylamino)phenyl] (E)-3-[4-(cyclopropylsulfamoyl)phenyl]prop-2-enoate is O=C(/C=C/c1ccc(S(=O)(=O)NC2CC2)cc1)Oc1ccc(NC(=O)c2cccs2)cc1.
What is the InChIKey of [4-(thiophene-2-carbonylamino)phenyl] (E)-3-[4-(cyclopropylsulfamoyl)phenyl]prop-2-enoate?
The InChIKey is BVKGXAQEKXLGEZ-LHHJGKSTSA-N. The full InChI is InChI=1S/C23H20N2O5S2/c26-22(14-5-16-3-12-20(13-4-16)32(28,29)25-18-6-7-18)30-19-10-8-17(9-11-19)24-23(27)21-2-1-15-31-21/h1-5,8-15,18,25H,6-7H2,(H,24,27)/b14-5+.
What are the key properties of [4-(thiophene-2-carbonylamino)phenyl] (E)-3-[4-(cyclopropylsulfamoyl)phenyl]prop-2-enoate?
[4-(thiophene-2-carbonylamino)phenyl] (E)-3-[4-(cyclopropylsulfamoyl)phenyl]prop-2-enoate has a molecular weight of 468.56 g/mol, XLogP of 4.06, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(thiophene-2-carbonylamino)phenyl] (E)-3-[4-(cyclopropylsulfamoyl)phenyl]prop-2-enoate is sourced from PubChem (CID 38959218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).