2-[(3,4-dimethoxybenzoyl)amino]-N-[(3,4-dimethylphenyl)methylideneamino]-4-methylthiophene-3-carboxamide

C24H25N3O4S — CID 66638055

IUPAC2-[(3,4-dimethoxybenzoyl)amino]-N-[(3,4-dimethylphenyl)methylideneamino]-4-methylthiophene-3-carboxamide
SMILESCOc1ccc(C(=O)Nc2scc(C)c2C(=O)NN=Cc2ccc(C)c(C)c2)cc1OC
InChIInChI=1S/C24H25N3O4S/c1-14-6-7-17(10-15(14)2)12-25-27-23(29)21-16(3)13-32-24(21)26-22(28)18-8-9-19(30-4)20(11-18)31-5/h6-13H,1-5H3,(H,26,28)(H,27,29)
InChIKeyJXNNKECLMZLATJ-UHFFFAOYSA-N
MW451.55 g/mol
LogP4.71
Rot. Bonds7

About 2-[(3,4-dimethoxybenzoyl)amino]-N-[(3,4-dimethylphenyl)methylideneamino]-4-methylthiophene-3-carboxamide

2-[(3,4-dimethoxybenzoyl)amino]-N-[(3,4-dimethylphenyl)methylideneamino]-4-methylthiophene-3-carboxamide (PubChem CID 66638055) has the molecular formula C24H25N3O4S and a molecular weight of 451.55 g/mol. Its IUPAC name is 2-[(3,4-dimethoxybenzoyl)amino]-N-[(3,4-dimethylphenyl)methylideneamino]-4-methylthiophene-3-carboxamide.

Molecular Properties

Compound Name2-[(3,4-dimethoxybenzoyl)amino]-N-[(3,4-dimethylphenyl)methylideneamino]-4-methylthiophene-3-carboxamide
PubChem CID66638055
Molecular FormulaC24H25N3O4S
Molecular Weight451.55 g/mol
Exact Mass451.16
IUPAC Name2-[(3,4-dimethoxybenzoyl)amino]-N-[(3,4-dimethylphenyl)methylideneamino]-4-methylthiophene-3-carboxamide
SMILESCOc1ccc(C(=O)Nc2scc(C)c2C(=O)NN=Cc2ccc(C)c(C)c2)cc1OC
InChIInChI=1S/C24H25N3O4S/c1-14-6-7-17(10-15(14)2)12-25-27-23(29)21-16(3)13-32-24(21)26-22(28)18-8-9-19(30-4)20(11-18)31-5/h6-13H,1-5H3,(H,26,28)(H,27,29)
InChIKeyJXNNKECLMZLATJ-UHFFFAOYSA-N
XLogP4.71
TPSA89.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.55
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[[4-chloro-3-(trifluoromethyl)phenyl]methylideneamino]-2-[(3,4-dimethoxybenzoyl)amino]-4-methylthiophene-3-carboxamide
CID 66638264
2-[(3,4-dimethoxybenzoyl)amino]-N-[(E)-(3,4-dimethylphenyl)methylideneamino]-5-methylbenzamide
CID 23107625
N-[(E)-[3-[(E)-[(3,4-dimethoxybenzoyl)hydrazinylidene]methyl]phenyl]methylideneamino]-3,4-dimethoxybenzamide
CID 46804116
3,4-dimethoxy-N-[(Z)-(4-methyl-3-nitrophenyl)methylideneamino]benzamide
CID 9232133
N-[(4-hydroxy-3-methoxyphenyl)methylideneamino]-3,4-dimethoxybenzamide
CID 689512
N-[(E)-(4-methoxyphenyl)methylideneamino]-4-methyl-2-[[3-[sulfanyl(1H-1,2,4-triazol-5-yl)methyl]benzoyl]amino]thiophene-3-carboxamide
CID 87086161
3,4-dimethoxy-N-[(E)-(3-methylphenyl)methylideneamino]benzamide
CID 6910508
N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-3,4-diethoxybenzamide
CID 126324627
N-(1,3-benzodioxol-5-ylmethylideneamino)-3,4-dimethoxybenzamide
CID 2063694
N-[4-[[(Z)-(3,4-dimethoxyphenyl)methylideneamino]carbamoyl]phenyl]-3,4,5-trimethoxybenzamide
CID 6435606
N-[(E)-(4-tert-butylphenyl)methylideneamino]-3,4-dimethoxybenzamide
CID 6906719
2-[[3-(3-hydroxypropylsulfanylmethyl)benzoyl]amino]-N-[(4-methoxyphenyl)methylideneamino]-4-methylthiophene-3-carboxamide
CID 66637619

Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-dimethoxybenzoyl)amino]-N-[(3,4-dimethylphenyl)methylideneamino]-4-methylthiophene-3-carboxamide?
The IUPAC name of 2-[(3,4-dimethoxybenzoyl)amino]-N-[(3,4-dimethylphenyl)methylideneamino]-4-methylthiophene-3-carboxamide (CID 66638055) is 2-[(3,4-dimethoxybenzoyl)amino]-N-[(3,4-dimethylphenyl)methylideneamino]-4-methylthiophene-3-carboxamide.
What is the SMILES notation for 2-[(3,4-dimethoxybenzoyl)amino]-N-[(3,4-dimethylphenyl)methylideneamino]-4-methylthiophene-3-carboxamide?
The canonical SMILES for 2-[(3,4-dimethoxybenzoyl)amino]-N-[(3,4-dimethylphenyl)methylideneamino]-4-methylthiophene-3-carboxamide is COc1ccc(C(=O)Nc2scc(C)c2C(=O)NN=Cc2ccc(C)c(C)c2)cc1OC.
What is the InChIKey of 2-[(3,4-dimethoxybenzoyl)amino]-N-[(3,4-dimethylphenyl)methylideneamino]-4-methylthiophene-3-carboxamide?
The InChIKey is JXNNKECLMZLATJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O4S/c1-14-6-7-17(10-15(14)2)12-25-27-23(29)21-16(3)13-32-24(21)26-22(28)18-8-9-19(30-4)20(11-18)31-5/h6-13H,1-5H3,(H,26,28)(H,27,29).
What are the key properties of 2-[(3,4-dimethoxybenzoyl)amino]-N-[(3,4-dimethylphenyl)methylideneamino]-4-methylthiophene-3-carboxamide?
2-[(3,4-dimethoxybenzoyl)amino]-N-[(3,4-dimethylphenyl)methylideneamino]-4-methylthiophene-3-carboxamide has a molecular weight of 451.55 g/mol, XLogP of 4.71, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-dimethoxybenzoyl)amino]-N-[(3,4-dimethylphenyl)methylideneamino]-4-methylthiophene-3-carboxamide is sourced from PubChem (CID 66638055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).