2-(4-chlorophenyl)-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-1,3-thiazole-4-carboxamide

C20H20ClN3O4S2 — CID 17478688

IUPAC2-(4-chlorophenyl)-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-1,3-thiazole-4-carboxamide
SMILESCCOc1ccc(NC(=O)c2csc(-c3ccc(Cl)cc3)n2)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C20H20ClN3O4S2/c1-4-28-17-10-9-15(11-18(17)30(26,27)24(2)3)22-19(25)16-12-29-20(23-16)13-5-7-14(21)8-6-13/h5-12H,4H2,1-3H3,(H,22,25)
InChIKeyPJQXPFLUVKUFPO-UHFFFAOYSA-N
MW465.98 g/mol
LogP4.36
Rot. Bonds7

About 2-(4-chlorophenyl)-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-1,3-thiazole-4-carboxamide

2-(4-chlorophenyl)-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-1,3-thiazole-4-carboxamide (PubChem CID 17478688) has the molecular formula C20H20ClN3O4S2 and a molecular weight of 465.98 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-1,3-thiazole-4-carboxamide
PubChem CID17478688
Molecular FormulaC20H20ClN3O4S2
Molecular Weight465.98 g/mol
Exact Mass465.06
IUPAC Name2-(4-chlorophenyl)-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-1,3-thiazole-4-carboxamide
SMILESCCOc1ccc(NC(=O)c2csc(-c3ccc(Cl)cc3)n2)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C20H20ClN3O4S2/c1-4-28-17-10-9-15(11-18(17)30(26,27)24(2)3)22-19(25)16-12-29-20(23-16)13-5-7-14(21)8-6-13/h5-12H,4H2,1-3H3,(H,22,25)
InChIKeyPJQXPFLUVKUFPO-UHFFFAOYSA-N
XLogP4.36
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.98
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-chlorophenyl)-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-1,3-thiazole-4-carboxamide
CID 46678053
N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 42025141
N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-2-phenyl-1,3-thiazole-4-carboxamide
CID 46823616
N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)-2-phenyl-1,3-thiazole-4-carboxamide
CID 46823541
2-(4-chlorophenyl)-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-1,3-thiazole-4-carboxamide
CID 55433666
2-[(4-chlorophenyl)methylsulfanyl]-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]acetamide
CID 31743631
N-[3-[(4-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-2-phenyl-1,3-thiazole-4-carboxamide
CID 156859744
N-(3-chlorophenyl)-2-(4-ethoxy-3-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 46067970
N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-3,5-dimethylbenzamide
CID 26421618
N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-4-propan-2-ylbenzamide
CID 9470040
N-(5-acetamido-2-methoxyphenyl)-2-(4-chlorophenyl)-1,3-thiazole-4-carboxamide
CID 42092835
4-bromo-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-1H-pyrrole-2-carboxamide
CID 134040694

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(4-chlorophenyl)-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-1,3-thiazole-4-carboxamide (CID 17478688) is 2-(4-chlorophenyl)-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-1,3-thiazole-4-carboxamide is CCOc1ccc(NC(=O)c2csc(-c3ccc(Cl)cc3)n2)cc1S(=O)(=O)N(C)C.
What is the InChIKey of 2-(4-chlorophenyl)-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-1,3-thiazole-4-carboxamide?
The InChIKey is PJQXPFLUVKUFPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O4S2/c1-4-28-17-10-9-15(11-18(17)30(26,27)24(2)3)22-19(25)16-12-29-20(23-16)13-5-7-14(21)8-6-13/h5-12H,4H2,1-3H3,(H,22,25).
What are the key properties of 2-(4-chlorophenyl)-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-1,3-thiazole-4-carboxamide?
2-(4-chlorophenyl)-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-1,3-thiazole-4-carboxamide has a molecular weight of 465.98 g/mol, XLogP of 4.36, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 17478688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).