N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide

C20H21N3O4S2 — CID 55406152

IUPACN-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(-c2nc(C(=O)Nc3cc(S(=O)(=O)N(C)C)ccc3C)cs2)cc1
InChIInChI=1S/C20H21N3O4S2/c1-13-5-10-16(29(25,26)23(2)3)11-17(13)21-19(24)18-12-28-20(22-18)14-6-8-15(27-4)9-7-14/h5-12H,1-4H3,(H,21,24)
InChIKeyMNELMRKPJXWNOR-UHFFFAOYSA-N
MW431.54 g/mol
LogP3.63
Rot. Bonds6

About N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide

N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide (PubChem CID 55406152) has the molecular formula C20H21N3O4S2 and a molecular weight of 431.54 g/mol. Its IUPAC name is N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide
PubChem CID55406152
Molecular FormulaC20H21N3O4S2
Molecular Weight431.54 g/mol
Exact Mass431.10
IUPAC NameN-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(-c2nc(C(=O)Nc3cc(S(=O)(=O)N(C)C)ccc3C)cs2)cc1
InChIInChI=1S/C20H21N3O4S2/c1-13-5-10-16(29(25,26)23(2)3)11-17(13)21-19(24)18-12-28-20(22-18)14-6-8-15(27-4)9-7-14/h5-12H,1-4H3,(H,21,24)
InChIKeyMNELMRKPJXWNOR-UHFFFAOYSA-N
XLogP3.63
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.54
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-chlorophenyl)-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-1,3-thiazole-4-carboxamide
CID 55433666
2-(2,3-dimethoxyphenyl)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]-1,3-thiazole-4-carboxamide
CID 24672068
N-(2,5-dimethyl-4-pyridinyl)-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 167821309
3-chloro-N-[5-(dimethylsulfamoyl)-2-methylphenyl]thiophene-2-carboxamide
CID 2812461
N-(2-chloro-4-methylphenyl)-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 26721200
N-(2-methoxyphenyl)-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 17417805
N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-methyl-1,3-oxazole-4-carboxamide
CID 100775650
N-(4-fluoro-2-methoxyphenyl)-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 32610380
N-(4,5-dimethoxy-2-methylphenyl)-2-phenyl-1,3-thiazole-4-carboxamide
CID 51205352
N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-2-[(4-fluorophenoxy)methyl]-1,3-thiazole-4-carboxamide
CID 24672146
N-(2,5-dimethoxyphenyl)-2-pyridin-4-yl-1,3-thiazole-4-carboxamide
CID 110409324
2-(4-methoxyphenyl)-N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 17392431

Frequently Asked Questions

What is the IUPAC name of N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide (CID 55406152) is N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide is COc1ccc(-c2nc(C(=O)Nc3cc(S(=O)(=O)N(C)C)ccc3C)cs2)cc1.
What is the InChIKey of N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide?
The InChIKey is MNELMRKPJXWNOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O4S2/c1-13-5-10-16(29(25,26)23(2)3)11-17(13)21-19(24)18-12-28-20(22-18)14-6-8-15(27-4)9-7-14/h5-12H,1-4H3,(H,21,24).
What are the key properties of N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide?
N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide has a molecular weight of 431.54 g/mol, XLogP of 3.63, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 55406152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).