2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]-N-[3-(diethylsulfamoyl)phenyl]acetamide

C21H22ClN3O3S2 — CID 16560776

IUPAC2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]-N-[3-(diethylsulfamoyl)phenyl]acetamide
SMILESCCN(CC)S(=O)(=O)c1cccc(NC(=O)Cc2csc(-c3cccc(Cl)c3)n2)c1
InChIInChI=1S/C21H22ClN3O3S2/c1-3-25(4-2)30(27,28)19-10-6-9-17(12-19)23-20(26)13-18-14-29-21(24-18)15-7-5-8-16(22)11-15/h5-12,14H,3-4,13H2,1-2H3,(H,23,26)
InChIKeyLTFVQTCKEQGVJZ-UHFFFAOYSA-N
MW464.01 g/mol
LogP4.68
Rot. Bonds8

About 2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]-N-[3-(diethylsulfamoyl)phenyl]acetamide

2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]-N-[3-(diethylsulfamoyl)phenyl]acetamide (PubChem CID 16560776) has the molecular formula C21H22ClN3O3S2 and a molecular weight of 464.01 g/mol. Its IUPAC name is 2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]-N-[3-(diethylsulfamoyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]-N-[3-(diethylsulfamoyl)phenyl]acetamide
PubChem CID16560776
Molecular FormulaC21H22ClN3O3S2
Molecular Weight464.01 g/mol
Exact Mass463.08
IUPAC Name2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]-N-[3-(diethylsulfamoyl)phenyl]acetamide
SMILESCCN(CC)S(=O)(=O)c1cccc(NC(=O)Cc2csc(-c3cccc(Cl)c3)n2)c1
InChIInChI=1S/C21H22ClN3O3S2/c1-3-25(4-2)30(27,28)19-10-6-9-17(12-19)23-20(26)13-18-14-29-21(24-18)15-7-5-8-16(22)11-15/h5-12,14H,3-4,13H2,1-2H3,(H,23,26)
InChIKeyLTFVQTCKEQGVJZ-UHFFFAOYSA-N
XLogP4.68
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.01
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-chlorophenyl)-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 8777109
N-[3-(dimethylsulfamoyl)phenyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
CID 9255503
2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]-N-(4-phenylphenyl)acetamide
CID 16560777
N-[3-[methyl(phenyl)sulfamoyl]phenyl]-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 25436690
2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide
CID 16563397
1-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]propan-2-one
CID 115089439
2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]-N-(2-fluoro-5-methylphenyl)acetamide
CID 9455183
N-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 29282406
N-[3-[methyl(phenyl)sulfamoyl]phenyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 16562803
N-(3-hydroxyphenyl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 78783427
2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]-N-(4-fluoro-2-methylphenyl)acetamide
CID 16560761
2-(2-amino-1,3-thiazol-4-yl)-N-(3-chlorophenyl)acetamide
CID 55120912

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]-N-[3-(diethylsulfamoyl)phenyl]acetamide?
The IUPAC name of 2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]-N-[3-(diethylsulfamoyl)phenyl]acetamide (CID 16560776) is 2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]-N-[3-(diethylsulfamoyl)phenyl]acetamide.
What is the SMILES notation for 2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]-N-[3-(diethylsulfamoyl)phenyl]acetamide?
The canonical SMILES for 2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]-N-[3-(diethylsulfamoyl)phenyl]acetamide is CCN(CC)S(=O)(=O)c1cccc(NC(=O)Cc2csc(-c3cccc(Cl)c3)n2)c1.
What is the InChIKey of 2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]-N-[3-(diethylsulfamoyl)phenyl]acetamide?
The InChIKey is LTFVQTCKEQGVJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN3O3S2/c1-3-25(4-2)30(27,28)19-10-6-9-17(12-19)23-20(26)13-18-14-29-21(24-18)15-7-5-8-16(22)11-15/h5-12,14H,3-4,13H2,1-2H3,(H,23,26).
What are the key properties of 2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]-N-[3-(diethylsulfamoyl)phenyl]acetamide?
2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]-N-[3-(diethylsulfamoyl)phenyl]acetamide has a molecular weight of 464.01 g/mol, XLogP of 4.68, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]-N-[3-(diethylsulfamoyl)phenyl]acetamide is sourced from PubChem (CID 16560776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).