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

C27H22N4O4S2 — CID 10218138

IUPAC4-(4-methoxyphenyl)-2-pyrrol-1-yl-N-[2-(2-sulfamoylphenyl)phenyl]-1,3-thiazole-5-carboxamide
SMILESCOc1ccc(-c2nc(-n3cccc3)sc2C(=O)Nc2ccccc2-c2ccccc2S(N)(=O)=O)cc1
InChIInChI=1S/C27H22N4O4S2/c1-35-19-14-12-18(13-15-19)24-25(36-27(30-24)31-16-6-7-17-31)26(32)29-22-10-4-2-8-20(22)21-9-3-5-11-23(21)37(28,33)34/h2-17H,1H3,(H,29,32)(H2,28,33,34)
InChIKeyCHXQQSVTRAHWTC-UHFFFAOYSA-N
MW530.63 g/mol
LogP5.18
Rot. Bonds7

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

4-(4-methoxyphenyl)-2-pyrrol-1-yl-N-[2-(2-sulfamoylphenyl)phenyl]-1,3-thiazole-5-carboxamide (PubChem CID 10218138) has the molecular formula C27H22N4O4S2 and a molecular weight of 530.63 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-2-pyrrol-1-yl-N-[2-(2-sulfamoylphenyl)phenyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-2-pyrrol-1-yl-N-[2-(2-sulfamoylphenyl)phenyl]-1,3-thiazole-5-carboxamide
PubChem CID10218138
Molecular FormulaC27H22N4O4S2
Molecular Weight530.63 g/mol
Exact Mass530.11
IUPAC Name4-(4-methoxyphenyl)-2-pyrrol-1-yl-N-[2-(2-sulfamoylphenyl)phenyl]-1,3-thiazole-5-carboxamide
SMILESCOc1ccc(-c2nc(-n3cccc3)sc2C(=O)Nc2ccccc2-c2ccccc2S(N)(=O)=O)cc1
InChIInChI=1S/C27H22N4O4S2/c1-35-19-14-12-18(13-15-19)24-25(36-27(30-24)31-16-6-7-17-31)26(32)29-22-10-4-2-8-20(22)21-9-3-5-11-23(21)37(28,33)34/h2-17H,1H3,(H,29,32)(H2,28,33,34)
InChIKeyCHXQQSVTRAHWTC-UHFFFAOYSA-N
XLogP5.18
TPSA116.31 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.63
LogP ≤ 55.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-(dimethylamino)-4-(4-methoxyphenyl)-N-[2-(2-sulfamoylphenyl)phenyl]-1,3-thiazole-5-carboxamide
CID 10289228
N-(2-methoxyethyl)-4-(4-methoxyphenyl)-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide
CID 53369144
4-phenyl-2-pyrrol-1-yl-N-(3,4,5-trimethoxyphenyl)-1,3-thiazole-5-carboxamide
CID 52898221
N-(4-methyl-1,3-thiazol-2-yl)-4-phenyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide
CID 52898394
2-[4-(4-methoxyphenyl)-2-phenyl-1,3-oxazol-5-yl]benzenesulfonamide
CID 173207529
2-[4-(4-methoxyphenyl)-1,3-oxazol-5-yl]benzenesulfonamide
CID 173207146
N-[(2R,3R)-1-hydroxy-3-methylpentan-2-yl]-4-phenyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide
CID 124848878
N-hydroxy-3-[4-(4-methoxyphenyl)-5-(2-sulfamoylphenyl)-1,3-oxazol-2-yl]-N-methylpropanamide
CID 22505474
bis(carbamothioic S-acid);methane;2-[4-(4-methoxyphenyl)-1,3-oxazol-5-yl]benzenesulfonamide;prop-1-yne;hydrate
CID 173207145
6-(4-methoxyphenyl)-N-(2-phenylphenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42270687
bis(carbamothioic S-acid);methane;2-[3-(4-methoxyphenyl)-5-propylfuran-2-yl]benzenesulfonamide;hydrate
CID 173207187
methyl 3-[2-[[4-(2-sulfamoylphenyl)benzoyl]amino]phenoxy]naphthalene-2-carboxylate
CID 18727915

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-2-pyrrol-1-yl-N-[2-(2-sulfamoylphenyl)phenyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-(4-methoxyphenyl)-2-pyrrol-1-yl-N-[2-(2-sulfamoylphenyl)phenyl]-1,3-thiazole-5-carboxamide (CID 10218138) is 4-(4-methoxyphenyl)-2-pyrrol-1-yl-N-[2-(2-sulfamoylphenyl)phenyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-(4-methoxyphenyl)-2-pyrrol-1-yl-N-[2-(2-sulfamoylphenyl)phenyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-(4-methoxyphenyl)-2-pyrrol-1-yl-N-[2-(2-sulfamoylphenyl)phenyl]-1,3-thiazole-5-carboxamide is COc1ccc(-c2nc(-n3cccc3)sc2C(=O)Nc2ccccc2-c2ccccc2S(N)(=O)=O)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-2-pyrrol-1-yl-N-[2-(2-sulfamoylphenyl)phenyl]-1,3-thiazole-5-carboxamide?
The InChIKey is CHXQQSVTRAHWTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22N4O4S2/c1-35-19-14-12-18(13-15-19)24-25(36-27(30-24)31-16-6-7-17-31)26(32)29-22-10-4-2-8-20(22)21-9-3-5-11-23(21)37(28,33)34/h2-17H,1H3,(H,29,32)(H2,28,33,34).
What are the key properties of 4-(4-methoxyphenyl)-2-pyrrol-1-yl-N-[2-(2-sulfamoylphenyl)phenyl]-1,3-thiazole-5-carboxamide?
4-(4-methoxyphenyl)-2-pyrrol-1-yl-N-[2-(2-sulfamoylphenyl)phenyl]-1,3-thiazole-5-carboxamide has a molecular weight of 530.63 g/mol, XLogP of 5.18, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-2-pyrrol-1-yl-N-[2-(2-sulfamoylphenyl)phenyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 10218138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).