3-(2,4-dichlorophenyl)-N-[4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]prop-2-enamide

C22H19Cl2N3O4S2 — CID 4500497

IUPAC3-(2,4-dichlorophenyl)-N-[4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]prop-2-enamide
SMILESO=C(C=Cc1ccc(Cl)cc1Cl)Nc1nc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)cs1
InChIInChI=1S/C22H19Cl2N3O4S2/c23-17-5-1-15(19(24)13-17)4-8-21(28)26-22-25-20(14-32-22)16-2-6-18(7-3-16)33(29,30)27-9-11-31-12-10-27/h1-8,13-14H,9-12H2,(H,25,26,28)
InChIKeyDATVDPZQOUGHJZ-UHFFFAOYSA-N
MW524.45 g/mol
LogP4.79
Rot. Bonds6

About 3-(2,4-dichlorophenyl)-N-[4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]prop-2-enamide

3-(2,4-dichlorophenyl)-N-[4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]prop-2-enamide (PubChem CID 4500497) has the molecular formula C22H19Cl2N3O4S2 and a molecular weight of 524.45 g/mol. Its IUPAC name is 3-(2,4-dichlorophenyl)-N-[4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]prop-2-enamide.

Molecular Properties

Compound Name3-(2,4-dichlorophenyl)-N-[4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]prop-2-enamide
PubChem CID4500497
Molecular FormulaC22H19Cl2N3O4S2
Molecular Weight524.45 g/mol
Exact Mass523.02
IUPAC Name3-(2,4-dichlorophenyl)-N-[4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]prop-2-enamide
SMILESO=C(C=Cc1ccc(Cl)cc1Cl)Nc1nc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)cs1
InChIInChI=1S/C22H19Cl2N3O4S2/c23-17-5-1-15(19(24)13-17)4-8-21(28)26-22-25-20(14-32-22)16-2-6-18(7-3-16)33(29,30)27-9-11-31-12-10-27/h1-8,13-14H,9-12H2,(H,25,26,28)
InChIKeyDATVDPZQOUGHJZ-UHFFFAOYSA-N
XLogP4.79
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500524.45
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-(furan-2-yl)-N-[4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]prop-2-enamide
CID 4500888
(E)-3-(2,4-dichlorophenyl)-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]prop-2-enamide
CID 6079591
(E)-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide
CID 16547893
N-[4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]-2,2-diphenylacetamide
CID 19114743
(E)-3-(2,4-dichlorophenyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)prop-2-enamide
CID 17070631
3-(2,4-dichlorophenyl)-N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]prop-2-enamide
CID 3638700
1-[[4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]amino]ethanol
CID 123786548
(E)-3-(2,4-dichlorophenyl)-N-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]prop-2-enamide
CID 6260356
[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] 3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enoate
CID 5083210
(E)-3-(2-chlorophenyl)-N-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide
CID 1108161
3-(4-morpholin-4-ylsulfonylphenyl)-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]propanamide
CID 5114730
N-[(2-chlorophenyl)methyl]-4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-amine
CID 110826546

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dichlorophenyl)-N-[4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]prop-2-enamide?
The IUPAC name of 3-(2,4-dichlorophenyl)-N-[4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]prop-2-enamide (CID 4500497) is 3-(2,4-dichlorophenyl)-N-[4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]prop-2-enamide.
What is the SMILES notation for 3-(2,4-dichlorophenyl)-N-[4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]prop-2-enamide?
The canonical SMILES for 3-(2,4-dichlorophenyl)-N-[4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]prop-2-enamide is O=C(C=Cc1ccc(Cl)cc1Cl)Nc1nc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)cs1.
What is the InChIKey of 3-(2,4-dichlorophenyl)-N-[4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]prop-2-enamide?
The InChIKey is DATVDPZQOUGHJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19Cl2N3O4S2/c23-17-5-1-15(19(24)13-17)4-8-21(28)26-22-25-20(14-32-22)16-2-6-18(7-3-16)33(29,30)27-9-11-31-12-10-27/h1-8,13-14H,9-12H2,(H,25,26,28).
What are the key properties of 3-(2,4-dichlorophenyl)-N-[4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]prop-2-enamide?
3-(2,4-dichlorophenyl)-N-[4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]prop-2-enamide has a molecular weight of 524.45 g/mol, XLogP of 4.79, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dichlorophenyl)-N-[4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]prop-2-enamide is sourced from PubChem (CID 4500497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).