(E)-N-[3-[(2,5-dichlorophenyl)sulfamoyl]-4-morpholin-4-ylphenyl]-3-thiophen-2-ylprop-2-enamide;N,N-dimethylformamide

C26H28Cl2N4O5S2 — CID 15944844

IUPAC(E)-N-[3-[(2,5-dichlorophenyl)sulfamoyl]-4-morpholin-4-ylphenyl]-3-thiophen-2-ylprop-2-enamide;N,N-dimethylformamide
SMILESCN(C)C=O.O=C(/C=C/c1cccs1)Nc1ccc(N2CCOCC2)c(S(=O)(=O)Nc2cc(Cl)ccc2Cl)c1
InChIInChI=1S/C23H21Cl2N3O4S2.C3H7NO/c24-16-3-6-19(25)20(14-16)27-34(30,31)22-15-17(4-7-21(22)28-9-11-32-12-10-28)26-23(29)8-5-18-2-1-13-33-18;1-4(2)3-5/h1-8,13-15,27H,9-12H2,(H,26,29);3H,1-2H3/b8-5+;
InChIKeyLRZGAQVTFRMFMT-HAAWTFQLSA-N
MW611.57 g/mol
LogP5.05
Rot. Bonds8

About (E)-N-[3-[(2,5-dichlorophenyl)sulfamoyl]-4-morpholin-4-ylphenyl]-3-thiophen-2-ylprop-2-enamide;N,N-dimethylformamide

(E)-N-[3-[(2,5-dichlorophenyl)sulfamoyl]-4-morpholin-4-ylphenyl]-3-thiophen-2-ylprop-2-enamide;N,N-dimethylformamide (PubChem CID 15944844) has the molecular formula C26H28Cl2N4O5S2 and a molecular weight of 611.57 g/mol. Its IUPAC name is (E)-N-[3-[(2,5-dichlorophenyl)sulfamoyl]-4-morpholin-4-ylphenyl]-3-thiophen-2-ylprop-2-enamide;N,N-dimethylformamide.

Molecular Properties

Compound Name(E)-N-[3-[(2,5-dichlorophenyl)sulfamoyl]-4-morpholin-4-ylphenyl]-3-thiophen-2-ylprop-2-enamide;N,N-dimethylformamide
PubChem CID15944844
Molecular FormulaC26H28Cl2N4O5S2
Molecular Weight611.57 g/mol
Exact Mass610.09
IUPAC Name(E)-N-[3-[(2,5-dichlorophenyl)sulfamoyl]-4-morpholin-4-ylphenyl]-3-thiophen-2-ylprop-2-enamide;N,N-dimethylformamide
SMILESCN(C)C=O.O=C(/C=C/c1cccs1)Nc1ccc(N2CCOCC2)c(S(=O)(=O)Nc2cc(Cl)ccc2Cl)c1
InChIInChI=1S/C23H21Cl2N3O4S2.C3H7NO/c24-16-3-6-19(25)20(14-16)27-34(30,31)22-15-17(4-7-21(22)28-9-11-32-12-10-28)26-23(29)8-5-18-2-1-13-33-18;1-4(2)3-5/h1-8,13-15,27H,9-12H2,(H,26,29);3H,1-2H3/b8-5+;
InChIKeyLRZGAQVTFRMFMT-HAAWTFQLSA-N
XLogP5.05
TPSA108.05 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500611.57
LogP ≤ 55.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', '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-[(2,5-dichlorophenyl)sulfamoyl]-4-morpholin-4-ylphenyl]-3-thiophen-2-ylprop-2-enamide;N,N-dimethylformamide?
The IUPAC name of (E)-N-[3-[(2,5-dichlorophenyl)sulfamoyl]-4-morpholin-4-ylphenyl]-3-thiophen-2-ylprop-2-enamide;N,N-dimethylformamide (CID 15944844) is (E)-N-[3-[(2,5-dichlorophenyl)sulfamoyl]-4-morpholin-4-ylphenyl]-3-thiophen-2-ylprop-2-enamide;N,N-dimethylformamide.
What is the SMILES notation for (E)-N-[3-[(2,5-dichlorophenyl)sulfamoyl]-4-morpholin-4-ylphenyl]-3-thiophen-2-ylprop-2-enamide;N,N-dimethylformamide?
The canonical SMILES for (E)-N-[3-[(2,5-dichlorophenyl)sulfamoyl]-4-morpholin-4-ylphenyl]-3-thiophen-2-ylprop-2-enamide;N,N-dimethylformamide is CN(C)C=O.O=C(/C=C/c1cccs1)Nc1ccc(N2CCOCC2)c(S(=O)(=O)Nc2cc(Cl)ccc2Cl)c1.
What is the InChIKey of (E)-N-[3-[(2,5-dichlorophenyl)sulfamoyl]-4-morpholin-4-ylphenyl]-3-thiophen-2-ylprop-2-enamide;N,N-dimethylformamide?
The InChIKey is LRZGAQVTFRMFMT-HAAWTFQLSA-N. The full InChI is InChI=1S/C23H21Cl2N3O4S2.C3H7NO/c24-16-3-6-19(25)20(14-16)27-34(30,31)22-15-17(4-7-21(22)28-9-11-32-12-10-28)26-23(29)8-5-18-2-1-13-33-18;1-4(2)3-5/h1-8,13-15,27H,9-12H2,(H,26,29);3H,1-2H3/b8-5+;.
What are the key properties of (E)-N-[3-[(2,5-dichlorophenyl)sulfamoyl]-4-morpholin-4-ylphenyl]-3-thiophen-2-ylprop-2-enamide;N,N-dimethylformamide?
(E)-N-[3-[(2,5-dichlorophenyl)sulfamoyl]-4-morpholin-4-ylphenyl]-3-thiophen-2-ylprop-2-enamide;N,N-dimethylformamide has a molecular weight of 611.57 g/mol, XLogP of 5.05, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[3-[(2,5-dichlorophenyl)sulfamoyl]-4-morpholin-4-ylphenyl]-3-thiophen-2-ylprop-2-enamide;N,N-dimethylformamide is sourced from PubChem (CID 15944844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).