2-(dimethylamino)-4-(4-methoxyphenyl)-N-[2-(2-sulfamoylphenyl)phenyl]-1,3-thiazole-5-carboxamide

C25H24N4O4S2 — CID 10289228

IUPAC2-(dimethylamino)-4-(4-methoxyphenyl)-N-[2-(2-sulfamoylphenyl)phenyl]-1,3-thiazole-5-carboxamide
SMILESCOc1ccc(-c2nc(N(C)C)sc2C(=O)Nc2ccccc2-c2ccccc2S(N)(=O)=O)cc1
InChIInChI=1S/C25H24N4O4S2/c1-29(2)25-28-22(16-12-14-17(33-3)15-13-16)23(34-25)24(30)27-20-10-6-4-8-18(20)19-9-5-7-11-21(19)35(26,31)32/h4-15H,1-3H3,(H,27,30)(H2,26,31,32)
InChIKeySCNSWBHTEURMGX-UHFFFAOYSA-N
MW508.63 g/mol
LogP4.45
Rot. Bonds7

About 2-(dimethylamino)-4-(4-methoxyphenyl)-N-[2-(2-sulfamoylphenyl)phenyl]-1,3-thiazole-5-carboxamide

2-(dimethylamino)-4-(4-methoxyphenyl)-N-[2-(2-sulfamoylphenyl)phenyl]-1,3-thiazole-5-carboxamide (PubChem CID 10289228) has the molecular formula C25H24N4O4S2 and a molecular weight of 508.63 g/mol. Its IUPAC name is 2-(dimethylamino)-4-(4-methoxyphenyl)-N-[2-(2-sulfamoylphenyl)phenyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(dimethylamino)-4-(4-methoxyphenyl)-N-[2-(2-sulfamoylphenyl)phenyl]-1,3-thiazole-5-carboxamide
PubChem CID10289228
Molecular FormulaC25H24N4O4S2
Molecular Weight508.63 g/mol
Exact Mass508.12
IUPAC Name2-(dimethylamino)-4-(4-methoxyphenyl)-N-[2-(2-sulfamoylphenyl)phenyl]-1,3-thiazole-5-carboxamide
SMILESCOc1ccc(-c2nc(N(C)C)sc2C(=O)Nc2ccccc2-c2ccccc2S(N)(=O)=O)cc1
InChIInChI=1S/C25H24N4O4S2/c1-29(2)25-28-22(16-12-14-17(33-3)15-13-16)23(34-25)24(30)27-20-10-6-4-8-18(20)19-9-5-7-11-21(19)35(26,31)32/h4-15H,1-3H3,(H,27,30)(H2,26,31,32)
InChIKeySCNSWBHTEURMGX-UHFFFAOYSA-N
XLogP4.45
TPSA114.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.63
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-(4-methoxyphenyl)-2-pyrrol-1-yl-N-[2-(2-sulfamoylphenyl)phenyl]-1,3-thiazole-5-carboxamide
CID 10218138
2-[4-(4-methoxyphenyl)-1,3-oxazol-5-yl]benzenesulfonamide
CID 173207146
N-hydroxy-3-[4-(4-methoxyphenyl)-5-(2-sulfamoylphenyl)-1,3-oxazol-2-yl]-N-methylpropanamide
CID 22505474
2-[4-(4-methoxyphenyl)-2-phenyl-1,3-oxazol-5-yl]benzenesulfonamide
CID 173207529
4-amino-N-(2,5-dibromophenyl)-2-(dimethylamino)-1,3-thiazole-5-carboxamide
CID 116663693
methyl 3-[2-[[4-(2-sulfamoylphenyl)benzoyl]amino]phenoxy]naphthalene-2-carboxylate
CID 18727915
4-(3-formamidophenyl)-2-(methylamino)-N-[4-(2-sulfamoylphenyl)phenyl]-1,3-thiazole-5-carboxamide
CID 90881753
2-[5-but-3-en-2-yl-2-(4-methoxyphenyl)-3-pyridinyl]benzenesulfonamide
CID 173207543
bis(carbamothioic S-acid);methane;2-[4-(4-methoxyphenyl)-1,3-oxazol-5-yl]benzenesulfonamide;prop-1-yne;hydrate
CID 173207145
4-(4-methoxyphenyl)-N,5-dimethyl-N-[(2-sulfamoylphenyl)methyl]thiophene-2-carboxamide
CID 167890274
4-methyl-N-(2-sulfamoylphenyl)-1,3-thiazole-5-carboxamide
CID 61130905
5-methoxy-2-methyl-N-(2-methyl-3-sulfamoylphenyl)benzamide
CID 126612439

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-4-(4-methoxyphenyl)-N-[2-(2-sulfamoylphenyl)phenyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(dimethylamino)-4-(4-methoxyphenyl)-N-[2-(2-sulfamoylphenyl)phenyl]-1,3-thiazole-5-carboxamide (CID 10289228) is 2-(dimethylamino)-4-(4-methoxyphenyl)-N-[2-(2-sulfamoylphenyl)phenyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(dimethylamino)-4-(4-methoxyphenyl)-N-[2-(2-sulfamoylphenyl)phenyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(dimethylamino)-4-(4-methoxyphenyl)-N-[2-(2-sulfamoylphenyl)phenyl]-1,3-thiazole-5-carboxamide is COc1ccc(-c2nc(N(C)C)sc2C(=O)Nc2ccccc2-c2ccccc2S(N)(=O)=O)cc1.
What is the InChIKey of 2-(dimethylamino)-4-(4-methoxyphenyl)-N-[2-(2-sulfamoylphenyl)phenyl]-1,3-thiazole-5-carboxamide?
The InChIKey is SCNSWBHTEURMGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O4S2/c1-29(2)25-28-22(16-12-14-17(33-3)15-13-16)23(34-25)24(30)27-20-10-6-4-8-18(20)19-9-5-7-11-21(19)35(26,31)32/h4-15H,1-3H3,(H,27,30)(H2,26,31,32).
What are the key properties of 2-(dimethylamino)-4-(4-methoxyphenyl)-N-[2-(2-sulfamoylphenyl)phenyl]-1,3-thiazole-5-carboxamide?
2-(dimethylamino)-4-(4-methoxyphenyl)-N-[2-(2-sulfamoylphenyl)phenyl]-1,3-thiazole-5-carboxamide has a molecular weight of 508.63 g/mol, XLogP of 4.45, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-4-(4-methoxyphenyl)-N-[2-(2-sulfamoylphenyl)phenyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 10289228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).