N-(2-methylphenyl)-2-[(E)-(1-prop-2-enylindol-3-yl)methylideneamino]thiophene-3-carboxamide

C24H21N3OS — CID 17371861

IUPACN-(2-methylphenyl)-2-[(E)-(1-prop-2-enylindol-3-yl)methylideneamino]thiophene-3-carboxamide
SMILESC=CCn1cc(/C=N/c2sccc2C(=O)Nc2ccccc2C)c2ccccc21
InChIInChI=1S/C24H21N3OS/c1-3-13-27-16-18(19-9-5-7-11-22(19)27)15-25-24-20(12-14-29-24)23(28)26-21-10-6-4-8-17(21)2/h3-12,14-16H,1,13H2,2H3,(H,26,28)/b25-15+
InChIKeyVCOPYZIXUUHJGU-MFKUBSTISA-N
MW399.52 g/mol
LogP6.20
Rot. Bonds6

About N-(2-methylphenyl)-2-[(E)-(1-prop-2-enylindol-3-yl)methylideneamino]thiophene-3-carboxamide

N-(2-methylphenyl)-2-[(E)-(1-prop-2-enylindol-3-yl)methylideneamino]thiophene-3-carboxamide (PubChem CID 17371861) has the molecular formula C24H21N3OS and a molecular weight of 399.52 g/mol. Its IUPAC name is N-(2-methylphenyl)-2-[(E)-(1-prop-2-enylindol-3-yl)methylideneamino]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-(2-methylphenyl)-2-[(E)-(1-prop-2-enylindol-3-yl)methylideneamino]thiophene-3-carboxamide
PubChem CID17371861
Molecular FormulaC24H21N3OS
Molecular Weight399.52 g/mol
Exact Mass399.14
IUPAC NameN-(2-methylphenyl)-2-[(E)-(1-prop-2-enylindol-3-yl)methylideneamino]thiophene-3-carboxamide
SMILESC=CCn1cc(/C=N/c2sccc2C(=O)Nc2ccccc2C)c2ccccc21
InChIInChI=1S/C24H21N3OS/c1-3-13-27-16-18(19-9-5-7-11-22(19)27)15-25-24-20(12-14-29-24)23(28)26-21-10-6-4-8-17(21)2/h3-12,14-16H,1,13H2,2H3,(H,26,28)/b25-15+
InChIKeyVCOPYZIXUUHJGU-MFKUBSTISA-N
XLogP6.20
TPSA46.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.52
LogP ≤ 56.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N-(2-methylphenyl)-2-[(E)-(1-prop-2-enylindol-3-yl)methylideneamino]thiophene-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2-methylphenyl)-2-[(E)-(1-prop-2-enylindol-3-yl)methylideneamino]thiophene-3-carboxamide?
The IUPAC name of N-(2-methylphenyl)-2-[(E)-(1-prop-2-enylindol-3-yl)methylideneamino]thiophene-3-carboxamide (CID 17371861) is N-(2-methylphenyl)-2-[(E)-(1-prop-2-enylindol-3-yl)methylideneamino]thiophene-3-carboxamide.
What is the SMILES notation for N-(2-methylphenyl)-2-[(E)-(1-prop-2-enylindol-3-yl)methylideneamino]thiophene-3-carboxamide?
The canonical SMILES for N-(2-methylphenyl)-2-[(E)-(1-prop-2-enylindol-3-yl)methylideneamino]thiophene-3-carboxamide is C=CCn1cc(/C=N/c2sccc2C(=O)Nc2ccccc2C)c2ccccc21.
What is the InChIKey of N-(2-methylphenyl)-2-[(E)-(1-prop-2-enylindol-3-yl)methylideneamino]thiophene-3-carboxamide?
The InChIKey is VCOPYZIXUUHJGU-MFKUBSTISA-N. The full InChI is InChI=1S/C24H21N3OS/c1-3-13-27-16-18(19-9-5-7-11-22(19)27)15-25-24-20(12-14-29-24)23(28)26-21-10-6-4-8-17(21)2/h3-12,14-16H,1,13H2,2H3,(H,26,28)/b25-15+.
What are the key properties of N-(2-methylphenyl)-2-[(E)-(1-prop-2-enylindol-3-yl)methylideneamino]thiophene-3-carboxamide?
N-(2-methylphenyl)-2-[(E)-(1-prop-2-enylindol-3-yl)methylideneamino]thiophene-3-carboxamide has a molecular weight of 399.52 g/mol, XLogP of 6.20, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylphenyl)-2-[(E)-(1-prop-2-enylindol-3-yl)methylideneamino]thiophene-3-carboxamide is sourced from PubChem (CID 17371861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).