2-(3-chlorophenyl)-4-methyl-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide

C20H20ClN3O3S2 — CID 38123393

IUPAC2-(3-chlorophenyl)-4-methyl-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide
SMILESCNS(=O)(=O)Cc1ccc(CNC(=O)c2sc(-c3cccc(Cl)c3)nc2C)cc1
InChIInChI=1S/C20H20ClN3O3S2/c1-13-18(28-20(24-13)16-4-3-5-17(21)10-16)19(25)23-11-14-6-8-15(9-7-14)12-29(26,27)22-2/h3-10,22H,11-12H2,1-2H3,(H,23,25)
InChIKeyOUPVBBOYJQJWIW-UHFFFAOYSA-N
MW449.99 g/mol
LogP3.75
Rot. Bonds7

About 2-(3-chlorophenyl)-4-methyl-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide

2-(3-chlorophenyl)-4-methyl-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide (PubChem CID 38123393) has the molecular formula C20H20ClN3O3S2 and a molecular weight of 449.99 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-4-methyl-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(3-chlorophenyl)-4-methyl-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide
PubChem CID38123393
Molecular FormulaC20H20ClN3O3S2
Molecular Weight449.99 g/mol
Exact Mass449.06
IUPAC Name2-(3-chlorophenyl)-4-methyl-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide
SMILESCNS(=O)(=O)Cc1ccc(CNC(=O)c2sc(-c3cccc(Cl)c3)nc2C)cc1
InChIInChI=1S/C20H20ClN3O3S2/c1-13-18(28-20(24-13)16-4-3-5-17(21)10-16)19(25)23-11-14-6-8-15(9-7-14)12-29(26,27)22-2/h3-10,22H,11-12H2,1-2H3,(H,23,25)
InChIKeyOUPVBBOYJQJWIW-UHFFFAOYSA-N
XLogP3.75
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.99
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methyl]-2-(3-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 55737001
N-[(3-chlorophenyl)methyl]-2-(4-ethylphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 18279656
2-(4-chlorophenyl)-N-[(3,4-dichlorophenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 24948936
2-(3-chlorophenyl)-N-(2,6-difluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 60599394
2-(3-chlorophenyl)-4-methyl-N-[(2-morpholin-4-ylsulfonylphenyl)methyl]-1,3-thiazole-5-carboxamide
CID 24680820
2-(3-chlorophenyl)-4-methyl-N-[4-methyl-3-(methylsulfamoyl)phenyl]-1,3-thiazole-5-carboxamide
CID 24646825
2-(3-chlorophenyl)-4-methyl-N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]-1,3-thiazole-5-carboxamide
CID 55954545
N-[(4-acetamidophenyl)methyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 24628898
2-(2-chlorophenyl)-N-[(4-chlorophenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 39084095
2-(3-chlorophenyl)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 24640711
N-(3-acetamido-2-methylphenyl)-2-(3-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 24673326
ethyl 2-(3-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxylate
CID 50997801

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-4-methyl-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(3-chlorophenyl)-4-methyl-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide (CID 38123393) is 2-(3-chlorophenyl)-4-methyl-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(3-chlorophenyl)-4-methyl-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(3-chlorophenyl)-4-methyl-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide is CNS(=O)(=O)Cc1ccc(CNC(=O)c2sc(-c3cccc(Cl)c3)nc2C)cc1.
What is the InChIKey of 2-(3-chlorophenyl)-4-methyl-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide?
The InChIKey is OUPVBBOYJQJWIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O3S2/c1-13-18(28-20(24-13)16-4-3-5-17(21)10-16)19(25)23-11-14-6-8-15(9-7-14)12-29(26,27)22-2/h3-10,22H,11-12H2,1-2H3,(H,23,25).
What are the key properties of 2-(3-chlorophenyl)-4-methyl-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide?
2-(3-chlorophenyl)-4-methyl-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide has a molecular weight of 449.99 g/mol, XLogP of 3.75, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-4-methyl-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 38123393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).