N-[4-(2,3-dichlorophenyl)-1,3-thiazol-2-yl]-2-(4-ethylsulfonylphenyl)acetamide

C19H16Cl2N2O3S2 — CID 73333288

IUPACN-[4-(2,3-dichlorophenyl)-1,3-thiazol-2-yl]-2-(4-ethylsulfonylphenyl)acetamide
SMILESCCS(=O)(=O)c1ccc(CC(=O)Nc2nc(-c3cccc(Cl)c3Cl)cs2)cc1
InChIInChI=1S/C19H16Cl2N2O3S2/c1-2-28(25,26)13-8-6-12(7-9-13)10-17(24)23-19-22-16(11-27-19)14-4-3-5-15(20)18(14)21/h3-9,11H,2,10H2,1H3,(H,22,23,24)
InChIKeyRCAZITXRRVCTPX-UHFFFAOYSA-N
MW455.39 g/mol
LogP5.09
Rot. Bonds6

About N-[4-(2,3-dichlorophenyl)-1,3-thiazol-2-yl]-2-(4-ethylsulfonylphenyl)acetamide

N-[4-(2,3-dichlorophenyl)-1,3-thiazol-2-yl]-2-(4-ethylsulfonylphenyl)acetamide (PubChem CID 73333288) has the molecular formula C19H16Cl2N2O3S2 and a molecular weight of 455.39 g/mol. Its IUPAC name is N-[4-(2,3-dichlorophenyl)-1,3-thiazol-2-yl]-2-(4-ethylsulfonylphenyl)acetamide.

Molecular Properties

Compound NameN-[4-(2,3-dichlorophenyl)-1,3-thiazol-2-yl]-2-(4-ethylsulfonylphenyl)acetamide
PubChem CID73333288
Molecular FormulaC19H16Cl2N2O3S2
Molecular Weight455.39 g/mol
Exact Mass454.00
IUPAC NameN-[4-(2,3-dichlorophenyl)-1,3-thiazol-2-yl]-2-(4-ethylsulfonylphenyl)acetamide
SMILESCCS(=O)(=O)c1ccc(CC(=O)Nc2nc(-c3cccc(Cl)c3Cl)cs2)cc1
InChIInChI=1S/C19H16Cl2N2O3S2/c1-2-28(25,26)13-8-6-12(7-9-13)10-17(24)23-19-22-16(11-27-19)14-4-3-5-15(20)18(14)21/h3-9,11H,2,10H2,1H3,(H,22,23,24)
InChIKeyRCAZITXRRVCTPX-UHFFFAOYSA-N
XLogP5.09
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.39
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2,3-dichlorophenyl)-1,3-thiazol-2-yl]-2-(4-ethylsulfonylphenyl)acetamide?
The IUPAC name of N-[4-(2,3-dichlorophenyl)-1,3-thiazol-2-yl]-2-(4-ethylsulfonylphenyl)acetamide (CID 73333288) is N-[4-(2,3-dichlorophenyl)-1,3-thiazol-2-yl]-2-(4-ethylsulfonylphenyl)acetamide.
What is the SMILES notation for N-[4-(2,3-dichlorophenyl)-1,3-thiazol-2-yl]-2-(4-ethylsulfonylphenyl)acetamide?
The canonical SMILES for N-[4-(2,3-dichlorophenyl)-1,3-thiazol-2-yl]-2-(4-ethylsulfonylphenyl)acetamide is CCS(=O)(=O)c1ccc(CC(=O)Nc2nc(-c3cccc(Cl)c3Cl)cs2)cc1.
What is the InChIKey of N-[4-(2,3-dichlorophenyl)-1,3-thiazol-2-yl]-2-(4-ethylsulfonylphenyl)acetamide?
The InChIKey is RCAZITXRRVCTPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Cl2N2O3S2/c1-2-28(25,26)13-8-6-12(7-9-13)10-17(24)23-19-22-16(11-27-19)14-4-3-5-15(20)18(14)21/h3-9,11H,2,10H2,1H3,(H,22,23,24).
What are the key properties of N-[4-(2,3-dichlorophenyl)-1,3-thiazol-2-yl]-2-(4-ethylsulfonylphenyl)acetamide?
N-[4-(2,3-dichlorophenyl)-1,3-thiazol-2-yl]-2-(4-ethylsulfonylphenyl)acetamide has a molecular weight of 455.39 g/mol, XLogP of 5.09, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,3-dichlorophenyl)-1,3-thiazol-2-yl]-2-(4-ethylsulfonylphenyl)acetamide is sourced from PubChem (CID 73333288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).