About N-[1-(3-amino-3-oxopropyl)-5-[benzoyl(methyl)amino]benzimidazol-2-yl]-5-[(E)-1-phenylprop-1-en-2-yl]thiophene-2-carboxamide
N-[1-(3-amino-3-oxopropyl)-5-[benzoyl(methyl)amino]benzimidazol-2-yl]-5-[(E)-1-phenylprop-1-en-2-yl]thiophene-2-carboxamide (PubChem CID 25190569) has the molecular formula C32H29N5O3S
and a molecular weight of 563.68 g/mol. Its IUPAC name is N-[1-(3-amino-3-oxopropyl)-5-[benzoyl(methyl)amino]benzimidazol-2-yl]-5-[(E)-1-phenylprop-1-en-2-yl]thiophene-2-carboxamide.
Molecular Properties
| Compound Name | N-[1-(3-amino-3-oxopropyl)-5-[benzoyl(methyl)amino]benzimidazol-2-yl]-5-[(E)-1-phenylprop-1-en-2-yl]thiophene-2-carboxamide |
|---|
| PubChem CID | 25190569 |
|---|
| Molecular Formula | C32H29N5O3S |
|---|
| Molecular Weight | 563.68 g/mol |
|---|
| Exact Mass | 563.20 |
|---|
| IUPAC Name | N-[1-(3-amino-3-oxopropyl)-5-[benzoyl(methyl)amino]benzimidazol-2-yl]-5-[(E)-1-phenylprop-1-en-2-yl]thiophene-2-carboxamide |
|---|
| SMILES | C/C(=C\c1ccccc1)c1ccc(C(=O)Nc2nc3cc(N(C)C(=O)c4ccccc4)ccc3n2CCC(N)=O)s1 |
|---|
| InChI | InChI=1S/C32H29N5O3S/c1-21(19-22-9-5-3-6-10-22)27-15-16-28(41-27)30(39)35-32-34-25-20-24(13-14-26(25)37(32)18-17-29(33)38)36(2)31(40)23-11-7-4-8-12-23/h3-16,19-20H,17-18H2,1-2H3,(H2,33,38)(H,34,35,39)/b21-19+ |
|---|
| InChIKey | WNVUNLDMOCSVGW-XUTLUUPISA-N |
|---|
| XLogP | 6.06 |
|---|
| TPSA | 110.32 Ų |
|---|
| H-Bond Donors | 2 |
|---|
| H-Bond Acceptors | 6 |
|---|
| Rotatable Bonds | 9 |
|---|
| Heavy Atoms | 41 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
2 violations
| Rule | Value |
|---|
| MW ≤ 500 | 563.68 |
| LogP ≤ 5 | 6.06 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 6 |
Analyze N-[1-(3-amino-3-oxopropyl)-5-[benzoyl(methyl)amino]benzimidazol-2-yl]-5-[(E)-1-phenylprop-1-en-2-yl]thiophene-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-(3-amino-3-oxopropyl)-5-[benzoyl(methyl)amino]benzimidazol-2-yl]-5-[(E)-1-phenylprop-1-en-2-yl]thiophene-2-carboxamide?
The IUPAC name of N-[1-(3-amino-3-oxopropyl)-5-[benzoyl(methyl)amino]benzimidazol-2-yl]-5-[(E)-1-phenylprop-1-en-2-yl]thiophene-2-carboxamide (CID 25190569) is N-[1-(3-amino-3-oxopropyl)-5-[benzoyl(methyl)amino]benzimidazol-2-yl]-5-[(E)-1-phenylprop-1-en-2-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[1-(3-amino-3-oxopropyl)-5-[benzoyl(methyl)amino]benzimidazol-2-yl]-5-[(E)-1-phenylprop-1-en-2-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[1-(3-amino-3-oxopropyl)-5-[benzoyl(methyl)amino]benzimidazol-2-yl]-5-[(E)-1-phenylprop-1-en-2-yl]thiophene-2-carboxamide is C/C(=C\c1ccccc1)c1ccc(C(=O)Nc2nc3cc(N(C)C(=O)c4ccccc4)ccc3n2CCC(N)=O)s1.
What is the InChIKey of N-[1-(3-amino-3-oxopropyl)-5-[benzoyl(methyl)amino]benzimidazol-2-yl]-5-[(E)-1-phenylprop-1-en-2-yl]thiophene-2-carboxamide?
The InChIKey is WNVUNLDMOCSVGW-XUTLUUPISA-N. The full InChI is InChI=1S/C32H29N5O3S/c1-21(19-22-9-5-3-6-10-22)27-15-16-28(41-27)30(39)35-32-34-25-20-24(13-14-26(25)37(32)18-17-29(33)38)36(2)31(40)23-11-7-4-8-12-23/h3-16,19-20H,17-18H2,1-2H3,(H2,33,38)(H,34,35,39)/b21-19+.
What are the key properties of N-[1-(3-amino-3-oxopropyl)-5-[benzoyl(methyl)amino]benzimidazol-2-yl]-5-[(E)-1-phenylprop-1-en-2-yl]thiophene-2-carboxamide?
N-[1-(3-amino-3-oxopropyl)-5-[benzoyl(methyl)amino]benzimidazol-2-yl]-5-[(E)-1-phenylprop-1-en-2-yl]thiophene-2-carboxamide has a molecular weight of 563.68 g/mol, XLogP of 6.06, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-amino-3-oxopropyl)-5-[benzoyl(methyl)amino]benzimidazol-2-yl]-5-[(E)-1-phenylprop-1-en-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 25190569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).