2-[2-[3-[(4-methoxybenzoyl)amino]phenyl]ethenyl]-N-methyl-1,3-thiazole-5-carboxamide

C21H19N3O3S — CID 76879171

IUPAC2-[2-[3-[(4-methoxybenzoyl)amino]phenyl]ethenyl]-N-methyl-1,3-thiazole-5-carboxamide
SMILESCNC(=O)c1cnc(C=Cc2cccc(NC(=O)c3ccc(OC)cc3)c2)s1
InChIInChI=1S/C21H19N3O3S/c1-22-21(26)18-13-23-19(28-18)11-6-14-4-3-5-16(12-14)24-20(25)15-7-9-17(27-2)10-8-15/h3-13H,1-2H3,(H,22,26)(H,24,25)
InChIKeyQBQXJAVDQYMRRQ-UHFFFAOYSA-N
MW393.47 g/mol
LogP3.93
Rot. Bonds6

About 2-[2-[3-[(4-methoxybenzoyl)amino]phenyl]ethenyl]-N-methyl-1,3-thiazole-5-carboxamide

2-[2-[3-[(4-methoxybenzoyl)amino]phenyl]ethenyl]-N-methyl-1,3-thiazole-5-carboxamide (PubChem CID 76879171) has the molecular formula C21H19N3O3S and a molecular weight of 393.47 g/mol. Its IUPAC name is 2-[2-[3-[(4-methoxybenzoyl)amino]phenyl]ethenyl]-N-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-[2-[3-[(4-methoxybenzoyl)amino]phenyl]ethenyl]-N-methyl-1,3-thiazole-5-carboxamide
PubChem CID76879171
Molecular FormulaC21H19N3O3S
Molecular Weight393.47 g/mol
Exact Mass393.11
IUPAC Name2-[2-[3-[(4-methoxybenzoyl)amino]phenyl]ethenyl]-N-methyl-1,3-thiazole-5-carboxamide
SMILESCNC(=O)c1cnc(C=Cc2cccc(NC(=O)c3ccc(OC)cc3)c2)s1
InChIInChI=1S/C21H19N3O3S/c1-22-21(26)18-13-23-19(28-18)11-6-14-4-3-5-16(12-14)24-20(25)15-7-9-17(27-2)10-8-15/h3-13H,1-2H3,(H,22,26)(H,24,25)
InChIKeyQBQXJAVDQYMRRQ-UHFFFAOYSA-N
XLogP3.93
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.47
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-[3-[(Z)-2-[5-(methylcarbamoyl)-1,3-thiazol-2-yl]ethenyl]phenoxy]propanoic acid
CID 97464267
N-(3-acetylphenyl)-4-(4-methoxyphenoxy)benzamide
CID 16651157
N-[3-[3-(4-cyclohexylphenyl)-3-oxoprop-1-enyl]phenyl]-4-methoxybenzamide
CID 4831195
N-methyl-2-[2-(3-nitro-4-propan-2-ylphenyl)ethenyl]-1,3-thiazole-5-carboxamide
CID 76879188
4-acetyl-N-(3-methoxyphenyl)benzamide
CID 16640996
4-bromo-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]benzamide
CID 8751018
3-bromo-N-[3-[(4-methoxybenzoyl)amino]phenyl]benzamide
CID 118722824
2-N,5-N-bis(3-methoxyphenyl)pyridine-2,5-dicarboxamide
CID 1368781
5-N-(3-acetylphenyl)-3-N-(4-methoxyphenyl)pyridine-3,5-dicarboxamide
CID 109108917
3-[(4-ethoxybenzoyl)amino]-N-(4-methoxyphenyl)benzamide
CID 1228510
N-(3-methoxyphenyl)-4-[(E)-3-methylbut-1-enyl]benzamide
CID 59811250
N-[3-[2-(4-methoxyphenyl)-2-oxoethoxy]phenyl]-4-methylbenzamide
CID 19644977

Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-[(4-methoxybenzoyl)amino]phenyl]ethenyl]-N-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-[2-[3-[(4-methoxybenzoyl)amino]phenyl]ethenyl]-N-methyl-1,3-thiazole-5-carboxamide (CID 76879171) is 2-[2-[3-[(4-methoxybenzoyl)amino]phenyl]ethenyl]-N-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-[2-[3-[(4-methoxybenzoyl)amino]phenyl]ethenyl]-N-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-[2-[3-[(4-methoxybenzoyl)amino]phenyl]ethenyl]-N-methyl-1,3-thiazole-5-carboxamide is CNC(=O)c1cnc(C=Cc2cccc(NC(=O)c3ccc(OC)cc3)c2)s1.
What is the InChIKey of 2-[2-[3-[(4-methoxybenzoyl)amino]phenyl]ethenyl]-N-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is QBQXJAVDQYMRRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O3S/c1-22-21(26)18-13-23-19(28-18)11-6-14-4-3-5-16(12-14)24-20(25)15-7-9-17(27-2)10-8-15/h3-13H,1-2H3,(H,22,26)(H,24,25).
What are the key properties of 2-[2-[3-[(4-methoxybenzoyl)amino]phenyl]ethenyl]-N-methyl-1,3-thiazole-5-carboxamide?
2-[2-[3-[(4-methoxybenzoyl)amino]phenyl]ethenyl]-N-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 393.47 g/mol, XLogP of 3.93, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-[(4-methoxybenzoyl)amino]phenyl]ethenyl]-N-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 76879171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).