2-(benzotriazol-1-yl)-N-(4-pyridin-4-ylphenyl)-N-(thiophen-3-ylmethyl)acetamide

C24H19N5OS — CID 56973498

IUPAC2-(benzotriazol-1-yl)-N-(4-pyridin-4-ylphenyl)-N-(thiophen-3-ylmethyl)acetamide
SMILESO=C(Cn1nnc2ccccc21)N(Cc1ccsc1)c1ccc(-c2ccncc2)cc1
InChIInChI=1S/C24H19N5OS/c30-24(16-29-23-4-2-1-3-22(23)26-27-29)28(15-18-11-14-31-17-18)21-7-5-19(6-8-21)20-9-12-25-13-10-20/h1-14,17H,15-16H2
InChIKeyZFYLJRHNLKAHPV-UHFFFAOYSA-N
MW425.52 g/mol
LogP4.79
Rot. Bonds6

About 2-(benzotriazol-1-yl)-N-(4-pyridin-4-ylphenyl)-N-(thiophen-3-ylmethyl)acetamide

2-(benzotriazol-1-yl)-N-(4-pyridin-4-ylphenyl)-N-(thiophen-3-ylmethyl)acetamide (PubChem CID 56973498) has the molecular formula C24H19N5OS and a molecular weight of 425.52 g/mol. Its IUPAC name is 2-(benzotriazol-1-yl)-N-(4-pyridin-4-ylphenyl)-N-(thiophen-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(benzotriazol-1-yl)-N-(4-pyridin-4-ylphenyl)-N-(thiophen-3-ylmethyl)acetamide
PubChem CID56973498
Molecular FormulaC24H19N5OS
Molecular Weight425.52 g/mol
Exact Mass425.13
IUPAC Name2-(benzotriazol-1-yl)-N-(4-pyridin-4-ylphenyl)-N-(thiophen-3-ylmethyl)acetamide
SMILESO=C(Cn1nnc2ccccc21)N(Cc1ccsc1)c1ccc(-c2ccncc2)cc1
InChIInChI=1S/C24H19N5OS/c30-24(16-29-23-4-2-1-3-22(23)26-27-29)28(15-18-11-14-31-17-18)21-7-5-19(6-8-21)20-9-12-25-13-10-20/h1-14,17H,15-16H2
InChIKeyZFYLJRHNLKAHPV-UHFFFAOYSA-N
XLogP4.79
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.52
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(benzotriazol-1-yl)-N-(4-pyridin-4-ylphenyl)-N-(thiophen-3-ylmethyl)acetamide?
The IUPAC name of 2-(benzotriazol-1-yl)-N-(4-pyridin-4-ylphenyl)-N-(thiophen-3-ylmethyl)acetamide (CID 56973498) is 2-(benzotriazol-1-yl)-N-(4-pyridin-4-ylphenyl)-N-(thiophen-3-ylmethyl)acetamide.
What is the SMILES notation for 2-(benzotriazol-1-yl)-N-(4-pyridin-4-ylphenyl)-N-(thiophen-3-ylmethyl)acetamide?
The canonical SMILES for 2-(benzotriazol-1-yl)-N-(4-pyridin-4-ylphenyl)-N-(thiophen-3-ylmethyl)acetamide is O=C(Cn1nnc2ccccc21)N(Cc1ccsc1)c1ccc(-c2ccncc2)cc1.
What is the InChIKey of 2-(benzotriazol-1-yl)-N-(4-pyridin-4-ylphenyl)-N-(thiophen-3-ylmethyl)acetamide?
The InChIKey is ZFYLJRHNLKAHPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N5OS/c30-24(16-29-23-4-2-1-3-22(23)26-27-29)28(15-18-11-14-31-17-18)21-7-5-19(6-8-21)20-9-12-25-13-10-20/h1-14,17H,15-16H2.
What are the key properties of 2-(benzotriazol-1-yl)-N-(4-pyridin-4-ylphenyl)-N-(thiophen-3-ylmethyl)acetamide?
2-(benzotriazol-1-yl)-N-(4-pyridin-4-ylphenyl)-N-(thiophen-3-ylmethyl)acetamide has a molecular weight of 425.52 g/mol, XLogP of 4.79, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzotriazol-1-yl)-N-(4-pyridin-4-ylphenyl)-N-(thiophen-3-ylmethyl)acetamide is sourced from PubChem (CID 56973498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).