N-[1-[(dibenzylamino)methyl]-2-hydroxyindol-3-yl]iminothiophene-2-carboxamide

C28H24N4O2S — CID 135619855

IUPACN-[1-[(dibenzylamino)methyl]-2-hydroxyindol-3-yl]iminothiophene-2-carboxamide
SMILESO=C(/N=N/c1c(O)n(CN(Cc2ccccc2)Cc2ccccc2)c2ccccc12)c1cccs1
InChIInChI=1S/C28H24N4O2S/c33-27(25-16-9-17-35-25)30-29-26-23-14-7-8-15-24(23)32(28(26)34)20-31(18-21-10-3-1-4-11-21)19-22-12-5-2-6-13-22/h1-17,34H,18-20H2/b30-29+
InChIKeyZSNOKVJFYPQEGS-QVIHXGFCSA-N
MW480.59 g/mol
LogP6.99
Rot. Bonds8

About N-[1-[(dibenzylamino)methyl]-2-hydroxyindol-3-yl]iminothiophene-2-carboxamide

N-[1-[(dibenzylamino)methyl]-2-hydroxyindol-3-yl]iminothiophene-2-carboxamide (PubChem CID 135619855) has the molecular formula C28H24N4O2S and a molecular weight of 480.59 g/mol. Its IUPAC name is N-[1-[(dibenzylamino)methyl]-2-hydroxyindol-3-yl]iminothiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-[(dibenzylamino)methyl]-2-hydroxyindol-3-yl]iminothiophene-2-carboxamide
PubChem CID135619855
Molecular FormulaC28H24N4O2S
Molecular Weight480.59 g/mol
Exact Mass480.16
IUPAC NameN-[1-[(dibenzylamino)methyl]-2-hydroxyindol-3-yl]iminothiophene-2-carboxamide
SMILESO=C(/N=N/c1c(O)n(CN(Cc2ccccc2)Cc2ccccc2)c2ccccc12)c1cccs1
InChIInChI=1S/C28H24N4O2S/c33-27(25-16-9-17-35-25)30-29-26-23-14-7-8-15-24(23)32(28(26)34)20-31(18-21-10-3-1-4-11-21)19-22-12-5-2-6-13-22/h1-17,34H,18-20H2/b30-29+
InChIKeyZSNOKVJFYPQEGS-QVIHXGFCSA-N
XLogP6.99
TPSA70.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.59
LogP ≤ 56.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

Analyze N-[1-[(dibenzylamino)methyl]-2-hydroxyindol-3-yl]iminothiophene-2-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-[1-[(dibenzylamino)methyl]-2-hydroxyindol-3-yl]iminothiophene-2-carboxamide?
The IUPAC name of N-[1-[(dibenzylamino)methyl]-2-hydroxyindol-3-yl]iminothiophene-2-carboxamide (CID 135619855) is N-[1-[(dibenzylamino)methyl]-2-hydroxyindol-3-yl]iminothiophene-2-carboxamide.
What is the SMILES notation for N-[1-[(dibenzylamino)methyl]-2-hydroxyindol-3-yl]iminothiophene-2-carboxamide?
The canonical SMILES for N-[1-[(dibenzylamino)methyl]-2-hydroxyindol-3-yl]iminothiophene-2-carboxamide is O=C(/N=N/c1c(O)n(CN(Cc2ccccc2)Cc2ccccc2)c2ccccc12)c1cccs1.
What is the InChIKey of N-[1-[(dibenzylamino)methyl]-2-hydroxyindol-3-yl]iminothiophene-2-carboxamide?
The InChIKey is ZSNOKVJFYPQEGS-QVIHXGFCSA-N. The full InChI is InChI=1S/C28H24N4O2S/c33-27(25-16-9-17-35-25)30-29-26-23-14-7-8-15-24(23)32(28(26)34)20-31(18-21-10-3-1-4-11-21)19-22-12-5-2-6-13-22/h1-17,34H,18-20H2/b30-29+.
What are the key properties of N-[1-[(dibenzylamino)methyl]-2-hydroxyindol-3-yl]iminothiophene-2-carboxamide?
N-[1-[(dibenzylamino)methyl]-2-hydroxyindol-3-yl]iminothiophene-2-carboxamide has a molecular weight of 480.59 g/mol, XLogP of 6.99, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(dibenzylamino)methyl]-2-hydroxyindol-3-yl]iminothiophene-2-carboxamide is sourced from PubChem (CID 135619855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).