N-[5-[3-(1,2,4-triazol-1-yl)phenyl]-2-(3,4,5-trimethoxybenzoyl)phenyl]acetamide

C26H24N4O5 — CID 66987753

IUPACN-[5-[3-(1,2,4-triazol-1-yl)phenyl]-2-(3,4,5-trimethoxybenzoyl)phenyl]acetamide
SMILESCOc1cc(C(=O)c2ccc(-c3cccc(-n4cncn4)c3)cc2NC(C)=O)cc(OC)c1OC
InChIInChI=1S/C26H24N4O5/c1-16(31)29-22-11-18(17-6-5-7-20(10-17)30-15-27-14-28-30)8-9-21(22)25(32)19-12-23(33-2)26(35-4)24(13-19)34-3/h5-15H,1-4H3,(H,29,31)
InChIKeyIAGOUKFWPXLFEI-UHFFFAOYSA-N
MW472.50 g/mol
LogP4.15
Rot. Bonds8

About N-[5-[3-(1,2,4-triazol-1-yl)phenyl]-2-(3,4,5-trimethoxybenzoyl)phenyl]acetamide

N-[5-[3-(1,2,4-triazol-1-yl)phenyl]-2-(3,4,5-trimethoxybenzoyl)phenyl]acetamide (PubChem CID 66987753) has the molecular formula C26H24N4O5 and a molecular weight of 472.50 g/mol. Its IUPAC name is N-[5-[3-(1,2,4-triazol-1-yl)phenyl]-2-(3,4,5-trimethoxybenzoyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[5-[3-(1,2,4-triazol-1-yl)phenyl]-2-(3,4,5-trimethoxybenzoyl)phenyl]acetamide
PubChem CID66987753
Molecular FormulaC26H24N4O5
Molecular Weight472.50 g/mol
Exact Mass472.17
IUPAC NameN-[5-[3-(1,2,4-triazol-1-yl)phenyl]-2-(3,4,5-trimethoxybenzoyl)phenyl]acetamide
SMILESCOc1cc(C(=O)c2ccc(-c3cccc(-n4cncn4)c3)cc2NC(C)=O)cc(OC)c1OC
InChIInChI=1S/C26H24N4O5/c1-16(31)29-22-11-18(17-6-5-7-20(10-17)30-15-27-14-28-30)8-9-21(22)25(32)19-12-23(33-2)26(35-4)24(13-19)34-3/h5-15H,1-4H3,(H,29,31)
InChIKeyIAGOUKFWPXLFEI-UHFFFAOYSA-N
XLogP4.15
TPSA104.57 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.50
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[5-[3-(1,2,4-triazol-1-yl)phenyl]-2-(3,4,5-trimethoxybenzoyl)phenyl]acetamide with MolForge

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

Launch Full Analysis

Related Compounds

[4-(1,3-thiazol-5-yl)-2-(1,2,4-triazol-1-yl)phenyl]-(3,4,5-trimethoxyphenyl)methanone
CID 46929638
2-amino-3-methyl-N-[4-[3-(1,2,4-triazol-1-yl)-4-(3,4,5-trimethoxybenzoyl)phenyl]-1,3-thiazol-2-yl]but-2-enamide
CID 163444408
[4-(2-methyl-1,3-thiazol-4-yl)-2-(1,2,4-triazol-1-yl)phenyl]-(3,4,5-trimethoxyphenyl)methanone
CID 46929540
[4-(2-amino-1,3-thiazol-4-yl)-2-(1,2,4-triazol-1-yl)phenyl]-(3,4,5-trimethoxyphenyl)methanone
CID 46929538
[5-(1,3-thiazol-2-yl)-2-(1,2,4-triazol-1-yl)phenyl]-(3,4,5-trimethoxyphenyl)methanone
CID 46929432
N-[4-pyridin-2-yl-2-(3,4,5-trimethoxybenzoyl)phenyl]acetamide
CID 25066423
(2S)-3-methyl-2-[[4-[3-(1,2,4-triazol-1-yl)-4-(3,4,5-trimethoxybenzoyl)phenyl]-1,3-thiazol-2-yl]amino]butanoic acid
CID 46937379
N-[4-(1-methylimidazol-2-yl)-2-(3,4,5-trimethoxybenzoyl)phenyl]acetamide
CID 25067024
(2-amino-5-pyrimidin-5-ylphenyl)-(3,4,5-trimethoxyphenyl)methanone
CID 25064338
2-methoxy-5-(1,2,4-triazol-1-yl)benzoic acid
CID 82512716
formaldehyde;N-[4-formyl-2-(3,4,5-trimethoxybenzoyl)phenyl]acetamide
CID 87613103
2-amino-3-cyclohexyl-N-[4-[3-(1,2,4-triazol-1-yl)-4-(3,4,5-trimethoxybenzoyl)phenyl]-1,3-thiazol-2-yl]propanamide
CID 74963332

Frequently Asked Questions

What is the IUPAC name of N-[5-[3-(1,2,4-triazol-1-yl)phenyl]-2-(3,4,5-trimethoxybenzoyl)phenyl]acetamide?
The IUPAC name of N-[5-[3-(1,2,4-triazol-1-yl)phenyl]-2-(3,4,5-trimethoxybenzoyl)phenyl]acetamide (CID 66987753) is N-[5-[3-(1,2,4-triazol-1-yl)phenyl]-2-(3,4,5-trimethoxybenzoyl)phenyl]acetamide.
What is the SMILES notation for N-[5-[3-(1,2,4-triazol-1-yl)phenyl]-2-(3,4,5-trimethoxybenzoyl)phenyl]acetamide?
The canonical SMILES for N-[5-[3-(1,2,4-triazol-1-yl)phenyl]-2-(3,4,5-trimethoxybenzoyl)phenyl]acetamide is COc1cc(C(=O)c2ccc(-c3cccc(-n4cncn4)c3)cc2NC(C)=O)cc(OC)c1OC.
What is the InChIKey of N-[5-[3-(1,2,4-triazol-1-yl)phenyl]-2-(3,4,5-trimethoxybenzoyl)phenyl]acetamide?
The InChIKey is IAGOUKFWPXLFEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O5/c1-16(31)29-22-11-18(17-6-5-7-20(10-17)30-15-27-14-28-30)8-9-21(22)25(32)19-12-23(33-2)26(35-4)24(13-19)34-3/h5-15H,1-4H3,(H,29,31).
What are the key properties of N-[5-[3-(1,2,4-triazol-1-yl)phenyl]-2-(3,4,5-trimethoxybenzoyl)phenyl]acetamide?
N-[5-[3-(1,2,4-triazol-1-yl)phenyl]-2-(3,4,5-trimethoxybenzoyl)phenyl]acetamide has a molecular weight of 472.50 g/mol, XLogP of 4.15, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[3-(1,2,4-triazol-1-yl)phenyl]-2-(3,4,5-trimethoxybenzoyl)phenyl]acetamide is sourced from PubChem (CID 66987753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).