N-[(1-benzyl-2-methylindol-3-yl)methylideneamino]thiophene-2-carboxamide

C22H19N3OS — CID 4299532

IUPACN-[(1-benzyl-2-methylindol-3-yl)methylideneamino]thiophene-2-carboxamide
SMILESCc1c(C=NNC(=O)c2cccs2)c2ccccc2n1Cc1ccccc1
InChIInChI=1S/C22H19N3OS/c1-16-19(14-23-24-22(26)21-12-7-13-27-21)18-10-5-6-11-20(18)25(16)15-17-8-3-2-4-9-17/h2-14H,15H2,1H3,(H,24,26)
InChIKeyIKAUFWUIBBIYEV-UHFFFAOYSA-N
MW373.48 g/mol
LogP4.82
Rot. Bonds5

About N-[(1-benzyl-2-methylindol-3-yl)methylideneamino]thiophene-2-carboxamide

N-[(1-benzyl-2-methylindol-3-yl)methylideneamino]thiophene-2-carboxamide (PubChem CID 4299532) has the molecular formula C22H19N3OS and a molecular weight of 373.48 g/mol. Its IUPAC name is N-[(1-benzyl-2-methylindol-3-yl)methylideneamino]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(1-benzyl-2-methylindol-3-yl)methylideneamino]thiophene-2-carboxamide
PubChem CID4299532
Molecular FormulaC22H19N3OS
Molecular Weight373.48 g/mol
Exact Mass373.12
IUPAC NameN-[(1-benzyl-2-methylindol-3-yl)methylideneamino]thiophene-2-carboxamide
SMILESCc1c(C=NNC(=O)c2cccs2)c2ccccc2n1Cc1ccccc1
InChIInChI=1S/C22H19N3OS/c1-16-19(14-23-24-22(26)21-12-7-13-27-21)18-10-5-6-11-20(18)25(16)15-17-8-3-2-4-9-17/h2-14H,15H2,1H3,(H,24,26)
InChIKeyIKAUFWUIBBIYEV-UHFFFAOYSA-N
XLogP4.82
TPSA46.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[[1-[(2-fluorophenyl)methyl]-2-methylindol-3-yl]methylideneamino]thiophene-2-carboxamide
CID 1257534
N-[(Z)-[1-[(2-fluorophenyl)methyl]-2-methylindol-3-yl]methylideneamino]thiophene-2-carboxamide
CID 5498036
N-[(1-benzyl-2-methylindol-3-yl)methylideneamino]-4-hydroxybenzamide
CID 4615384
N-[(E)-(1-benzyl-2-methylindol-3-yl)methylideneamino]-4-hydroxybenzamide
CID 46501991
N-[(1-benzyl-2-methylindol-3-yl)methylideneamino]-4-bromobenzamide
CID 3382244
N-[(E)-(1-benzyl-2-methylindol-3-yl)methylideneamino]-3-iodobenzamide
CID 95395790
N-[(E)-3-[(2Z)-2-[(1-benzyl-2-methylindol-3-yl)methylidene]hydrazinyl]-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]benzamide
CID 6080567
N-[(E)-3-[2-[(1-benzyl-2-methylindol-3-yl)methylidene]hydrazinyl]-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]benzamide
CID 129437766
N-[(E)-(2-benzyl-3-hydroxy-1-oxoisoquinolin-4-yl)methylideneamino]thiophene-2-carboxamide
CID 135609338
N-[(E)-(1-benzyl-2-methylindol-3-yl)methylideneamino]-4-methoxybenzamide
CID 6883031
N-[(E)-(1-benzyl-2-methylindol-3-yl)methylideneamino]-2-(4-fluorophenyl)acetamide
CID 126258425
2-bromo-N-[(E)-[1-[(4-iodophenyl)methyl]-2-methylindol-3-yl]methylideneamino]benzamide
CID 17245541

Frequently Asked Questions

What is the IUPAC name of N-[(1-benzyl-2-methylindol-3-yl)methylideneamino]thiophene-2-carboxamide?
The IUPAC name of N-[(1-benzyl-2-methylindol-3-yl)methylideneamino]thiophene-2-carboxamide (CID 4299532) is N-[(1-benzyl-2-methylindol-3-yl)methylideneamino]thiophene-2-carboxamide.
What is the SMILES notation for N-[(1-benzyl-2-methylindol-3-yl)methylideneamino]thiophene-2-carboxamide?
The canonical SMILES for N-[(1-benzyl-2-methylindol-3-yl)methylideneamino]thiophene-2-carboxamide is Cc1c(C=NNC(=O)c2cccs2)c2ccccc2n1Cc1ccccc1.
What is the InChIKey of N-[(1-benzyl-2-methylindol-3-yl)methylideneamino]thiophene-2-carboxamide?
The InChIKey is IKAUFWUIBBIYEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3OS/c1-16-19(14-23-24-22(26)21-12-7-13-27-21)18-10-5-6-11-20(18)25(16)15-17-8-3-2-4-9-17/h2-14H,15H2,1H3,(H,24,26).
What are the key properties of N-[(1-benzyl-2-methylindol-3-yl)methylideneamino]thiophene-2-carboxamide?
N-[(1-benzyl-2-methylindol-3-yl)methylideneamino]thiophene-2-carboxamide has a molecular weight of 373.48 g/mol, XLogP of 4.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzyl-2-methylindol-3-yl)methylideneamino]thiophene-2-carboxamide is sourced from PubChem (CID 4299532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).