2-(3-chlorophenyl)-N,4-dimethyl-N-[1-(4-sulfamoylphenyl)ethyl]-1,3-thiazole-5-carboxamide

C20H20ClN3O3S2 — CID 46635368

IUPAC2-(3-chlorophenyl)-N,4-dimethyl-N-[1-(4-sulfamoylphenyl)ethyl]-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2cccc(Cl)c2)sc1C(=O)N(C)C(C)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C20H20ClN3O3S2/c1-12-18(28-19(23-12)15-5-4-6-16(21)11-15)20(25)24(3)13(2)14-7-9-17(10-8-14)29(22,26)27/h4-11,13H,1-3H3,(H2,22,26,27)
InChIKeyRPCJIUOLFWXMRO-UHFFFAOYSA-N
MW449.99 g/mol
LogP4.25
Rot. Bonds5

About 2-(3-chlorophenyl)-N,4-dimethyl-N-[1-(4-sulfamoylphenyl)ethyl]-1,3-thiazole-5-carboxamide

2-(3-chlorophenyl)-N,4-dimethyl-N-[1-(4-sulfamoylphenyl)ethyl]-1,3-thiazole-5-carboxamide (PubChem CID 46635368) has the molecular formula C20H20ClN3O3S2 and a molecular weight of 449.99 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-N,4-dimethyl-N-[1-(4-sulfamoylphenyl)ethyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(3-chlorophenyl)-N,4-dimethyl-N-[1-(4-sulfamoylphenyl)ethyl]-1,3-thiazole-5-carboxamide
PubChem CID46635368
Molecular FormulaC20H20ClN3O3S2
Molecular Weight449.99 g/mol
Exact Mass449.06
IUPAC Name2-(3-chlorophenyl)-N,4-dimethyl-N-[1-(4-sulfamoylphenyl)ethyl]-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2cccc(Cl)c2)sc1C(=O)N(C)C(C)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C20H20ClN3O3S2/c1-12-18(28-19(23-12)15-5-4-6-16(21)11-15)20(25)24(3)13(2)14-7-9-17(10-8-14)29(22,26)27/h4-11,13H,1-3H3,(H2,22,26,27)
InChIKeyRPCJIUOLFWXMRO-UHFFFAOYSA-N
XLogP4.25
TPSA93.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.99
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]benzamide
CID 46635500
N-methyl-2-phenyl-N-[1-(4-sulfamoylphenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 55437304
N-methyl-2-phenyl-N-[1-(4-sulfamoylphenyl)ethyl]pyrimidine-5-carboxamide
CID 86859015
2-(3-chlorophenyl)-N,4-dimethyl-N-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]-1,3-thiazole-5-carboxamide
CID 97259892
N-methyl-5-phenyl-N-[1-(4-sulfamoylphenyl)ethyl]-1,2-oxazole-3-carboxamide
CID 24532743
N,3-dimethyl-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]thiophene-2-carboxamide
CID 34734892
ethyl 2-(3-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxylate
CID 50997801
2-(4-chlorophenyl)-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]quinoline-4-carboxamide
CID 55369602
2-(3-chlorophenyl)-N-ethyl-N-(2-hydroxyethyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 78855413
2-(3-chlorophenyl)-N,N-bis(2-methoxyethyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 55439249
N-butyl-2-(3-chlorophenyl)-N-ethyl-4-methyl-1,3-thiazole-5-carboxamide
CID 134015239
2-tert-butyl-N-methyl-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]-1,3-thiazole-5-carboxamide
CID 95155780

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-N,4-dimethyl-N-[1-(4-sulfamoylphenyl)ethyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(3-chlorophenyl)-N,4-dimethyl-N-[1-(4-sulfamoylphenyl)ethyl]-1,3-thiazole-5-carboxamide (CID 46635368) is 2-(3-chlorophenyl)-N,4-dimethyl-N-[1-(4-sulfamoylphenyl)ethyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(3-chlorophenyl)-N,4-dimethyl-N-[1-(4-sulfamoylphenyl)ethyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(3-chlorophenyl)-N,4-dimethyl-N-[1-(4-sulfamoylphenyl)ethyl]-1,3-thiazole-5-carboxamide is Cc1nc(-c2cccc(Cl)c2)sc1C(=O)N(C)C(C)c1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 2-(3-chlorophenyl)-N,4-dimethyl-N-[1-(4-sulfamoylphenyl)ethyl]-1,3-thiazole-5-carboxamide?
The InChIKey is RPCJIUOLFWXMRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O3S2/c1-12-18(28-19(23-12)15-5-4-6-16(21)11-15)20(25)24(3)13(2)14-7-9-17(10-8-14)29(22,26)27/h4-11,13H,1-3H3,(H2,22,26,27).
What are the key properties of 2-(3-chlorophenyl)-N,4-dimethyl-N-[1-(4-sulfamoylphenyl)ethyl]-1,3-thiazole-5-carboxamide?
2-(3-chlorophenyl)-N,4-dimethyl-N-[1-(4-sulfamoylphenyl)ethyl]-1,3-thiazole-5-carboxamide has a molecular weight of 449.99 g/mol, XLogP of 4.25, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-N,4-dimethyl-N-[1-(4-sulfamoylphenyl)ethyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 46635368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).