N-[2-[2-[2-(2-methoxyanilino)-2-oxoethyl]tetrazol-5-yl]phenyl]-3-methylbenzamide

C24H22N6O3 — CID 1463772

IUPACN-[2-[2-[2-(2-methoxyanilino)-2-oxoethyl]tetrazol-5-yl]phenyl]-3-methylbenzamide
SMILESCOc1ccccc1NC(=O)Cn1nnc(-c2ccccc2NC(=O)c2cccc(C)c2)n1
InChIInChI=1S/C24H22N6O3/c1-16-8-7-9-17(14-16)24(32)26-19-11-4-3-10-18(19)23-27-29-30(28-23)15-22(31)25-20-12-5-6-13-21(20)33-2/h3-14H,15H2,1-2H3,(H,25,31)(H,26,32)
InChIKeyYOPSBWVQUZPVEZ-UHFFFAOYSA-N
MW442.48 g/mol
LogP3.55
Rot. Bonds7

About N-[2-[2-[2-(2-methoxyanilino)-2-oxoethyl]tetrazol-5-yl]phenyl]-3-methylbenzamide

N-[2-[2-[2-(2-methoxyanilino)-2-oxoethyl]tetrazol-5-yl]phenyl]-3-methylbenzamide (PubChem CID 1463772) has the molecular formula C24H22N6O3 and a molecular weight of 442.48 g/mol. Its IUPAC name is N-[2-[2-[2-(2-methoxyanilino)-2-oxoethyl]tetrazol-5-yl]phenyl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[2-[2-[2-(2-methoxyanilino)-2-oxoethyl]tetrazol-5-yl]phenyl]-3-methylbenzamide
PubChem CID1463772
Molecular FormulaC24H22N6O3
Molecular Weight442.48 g/mol
Exact Mass442.18
IUPAC NameN-[2-[2-[2-(2-methoxyanilino)-2-oxoethyl]tetrazol-5-yl]phenyl]-3-methylbenzamide
SMILESCOc1ccccc1NC(=O)Cn1nnc(-c2ccccc2NC(=O)c2cccc(C)c2)n1
InChIInChI=1S/C24H22N6O3/c1-16-8-7-9-17(14-16)24(32)26-19-11-4-3-10-18(19)23-27-29-30(28-23)15-22(31)25-20-12-5-6-13-21(20)33-2/h3-14H,15H2,1-2H3,(H,25,31)(H,26,32)
InChIKeyYOPSBWVQUZPVEZ-UHFFFAOYSA-N
XLogP3.55
TPSA111.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.48
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[2-[2-[2-(2-methoxyanilino)-2-oxoethyl]tetrazol-5-yl]phenyl]-3-methylbenzamide 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-tert-butyl-N-[2-[2-[2-(2-methoxyanilino)-2-oxoethyl]tetrazol-5-yl]phenyl]benzamide
CID 1463770
N-[2-[2-(2-amino-2-oxoethyl)tetrazol-5-yl]phenyl]-3-methylbenzamide
CID 858288
N-(2-methoxyphenyl)-4-[[2-[5-(2-methylphenyl)tetrazol-2-yl]acetyl]amino]benzamide
CID 2511451
4-methoxy-N-[2-[2-[2-(4-methylanilino)-2-oxoethyl]tetrazol-5-yl]phenyl]benzamide
CID 1463805
N-(2-methoxyphenyl)-2-[5-[2-[(4-methoxyphenyl)sulfonylamino]phenyl]tetrazol-2-yl]acetamide
CID 1463756
N-[2-[2-(2-anilino-2-oxoethyl)tetrazol-5-yl]phenyl]benzamide
CID 1455558
N-(2-methoxy-5-methylphenyl)-2-(5-pyridin-4-yltetrazol-2-yl)acetamide
CID 846173
4-methoxy-N-[2-[2-[2-(3-methoxypropylamino)-2-oxoethyl]tetrazol-5-yl]phenyl]benzamide
CID 3229791
N-(2,5-dimethoxyphenyl)-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide
CID 1169429
N-(3-chloro-2-methylphenyl)-2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetamide
CID 1164687
N-[2-[2-[2-(3-acetylanilino)-2-oxoethyl]tetrazol-5-yl]phenyl]-2-fluorobenzamide
CID 1452611
N-(2-fluoro-4-methylphenyl)-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide
CID 7602043

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[2-(2-methoxyanilino)-2-oxoethyl]tetrazol-5-yl]phenyl]-3-methylbenzamide?
The IUPAC name of N-[2-[2-[2-(2-methoxyanilino)-2-oxoethyl]tetrazol-5-yl]phenyl]-3-methylbenzamide (CID 1463772) is N-[2-[2-[2-(2-methoxyanilino)-2-oxoethyl]tetrazol-5-yl]phenyl]-3-methylbenzamide.
What is the SMILES notation for N-[2-[2-[2-(2-methoxyanilino)-2-oxoethyl]tetrazol-5-yl]phenyl]-3-methylbenzamide?
The canonical SMILES for N-[2-[2-[2-(2-methoxyanilino)-2-oxoethyl]tetrazol-5-yl]phenyl]-3-methylbenzamide is COc1ccccc1NC(=O)Cn1nnc(-c2ccccc2NC(=O)c2cccc(C)c2)n1.
What is the InChIKey of N-[2-[2-[2-(2-methoxyanilino)-2-oxoethyl]tetrazol-5-yl]phenyl]-3-methylbenzamide?
The InChIKey is YOPSBWVQUZPVEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N6O3/c1-16-8-7-9-17(14-16)24(32)26-19-11-4-3-10-18(19)23-27-29-30(28-23)15-22(31)25-20-12-5-6-13-21(20)33-2/h3-14H,15H2,1-2H3,(H,25,31)(H,26,32).
What are the key properties of N-[2-[2-[2-(2-methoxyanilino)-2-oxoethyl]tetrazol-5-yl]phenyl]-3-methylbenzamide?
N-[2-[2-[2-(2-methoxyanilino)-2-oxoethyl]tetrazol-5-yl]phenyl]-3-methylbenzamide has a molecular weight of 442.48 g/mol, XLogP of 3.55, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[2-(2-methoxyanilino)-2-oxoethyl]tetrazol-5-yl]phenyl]-3-methylbenzamide is sourced from PubChem (CID 1463772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).