(E)-N-[3-[(2-chlorophenyl)sulfamoyl]-4-morpholin-4-ylphenyl]-3-thiophen-2-ylprop-2-enamide

C23H22ClN3O4S2 — CID 6110967

IUPAC(E)-N-[3-[(2-chlorophenyl)sulfamoyl]-4-morpholin-4-ylphenyl]-3-thiophen-2-ylprop-2-enamide
SMILESO=C(/C=C/c1cccs1)Nc1ccc(N2CCOCC2)c(S(=O)(=O)Nc2ccccc2Cl)c1
InChIInChI=1S/C23H22ClN3O4S2/c24-19-5-1-2-6-20(19)26-33(29,30)22-16-17(7-9-21(22)27-11-13-31-14-12-27)25-23(28)10-8-18-4-3-15-32-18/h1-10,15-16,26H,11-14H2,(H,25,28)/b10-8+
InChIKeyQGFUSUNISSHGDD-CSKARUKUSA-N
MW504.03 g/mol
LogP4.69
Rot. Bonds7

About (E)-N-[3-[(2-chlorophenyl)sulfamoyl]-4-morpholin-4-ylphenyl]-3-thiophen-2-ylprop-2-enamide

(E)-N-[3-[(2-chlorophenyl)sulfamoyl]-4-morpholin-4-ylphenyl]-3-thiophen-2-ylprop-2-enamide (PubChem CID 6110967) has the molecular formula C23H22ClN3O4S2 and a molecular weight of 504.03 g/mol. Its IUPAC name is (E)-N-[3-[(2-chlorophenyl)sulfamoyl]-4-morpholin-4-ylphenyl]-3-thiophen-2-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[3-[(2-chlorophenyl)sulfamoyl]-4-morpholin-4-ylphenyl]-3-thiophen-2-ylprop-2-enamide
PubChem CID6110967
Molecular FormulaC23H22ClN3O4S2
Molecular Weight504.03 g/mol
Exact Mass503.07
IUPAC Name(E)-N-[3-[(2-chlorophenyl)sulfamoyl]-4-morpholin-4-ylphenyl]-3-thiophen-2-ylprop-2-enamide
SMILESO=C(/C=C/c1cccs1)Nc1ccc(N2CCOCC2)c(S(=O)(=O)Nc2ccccc2Cl)c1
InChIInChI=1S/C23H22ClN3O4S2/c24-19-5-1-2-6-20(19)26-33(29,30)22-16-17(7-9-21(22)27-11-13-31-14-12-27)25-23(28)10-8-18-4-3-15-32-18/h1-10,15-16,26H,11-14H2,(H,25,28)/b10-8+
InChIKeyQGFUSUNISSHGDD-CSKARUKUSA-N
XLogP4.69
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.03
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-N-[3-[(2-chlorophenyl)sulfamoyl]-4-morpholin-4-ylphenyl]-3-thiophen-2-ylprop-2-enamide?
The IUPAC name of (E)-N-[3-[(2-chlorophenyl)sulfamoyl]-4-morpholin-4-ylphenyl]-3-thiophen-2-ylprop-2-enamide (CID 6110967) is (E)-N-[3-[(2-chlorophenyl)sulfamoyl]-4-morpholin-4-ylphenyl]-3-thiophen-2-ylprop-2-enamide.
What is the SMILES notation for (E)-N-[3-[(2-chlorophenyl)sulfamoyl]-4-morpholin-4-ylphenyl]-3-thiophen-2-ylprop-2-enamide?
The canonical SMILES for (E)-N-[3-[(2-chlorophenyl)sulfamoyl]-4-morpholin-4-ylphenyl]-3-thiophen-2-ylprop-2-enamide is O=C(/C=C/c1cccs1)Nc1ccc(N2CCOCC2)c(S(=O)(=O)Nc2ccccc2Cl)c1.
What is the InChIKey of (E)-N-[3-[(2-chlorophenyl)sulfamoyl]-4-morpholin-4-ylphenyl]-3-thiophen-2-ylprop-2-enamide?
The InChIKey is QGFUSUNISSHGDD-CSKARUKUSA-N. The full InChI is InChI=1S/C23H22ClN3O4S2/c24-19-5-1-2-6-20(19)26-33(29,30)22-16-17(7-9-21(22)27-11-13-31-14-12-27)25-23(28)10-8-18-4-3-15-32-18/h1-10,15-16,26H,11-14H2,(H,25,28)/b10-8+.
What are the key properties of (E)-N-[3-[(2-chlorophenyl)sulfamoyl]-4-morpholin-4-ylphenyl]-3-thiophen-2-ylprop-2-enamide?
(E)-N-[3-[(2-chlorophenyl)sulfamoyl]-4-morpholin-4-ylphenyl]-3-thiophen-2-ylprop-2-enamide has a molecular weight of 504.03 g/mol, XLogP of 4.69, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[3-[(2-chlorophenyl)sulfamoyl]-4-morpholin-4-ylphenyl]-3-thiophen-2-ylprop-2-enamide is sourced from PubChem (CID 6110967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).