N-(2-methoxyphenyl)-4-[[2-[5-(2-methylphenyl)tetrazol-2-yl]acetyl]amino]benzamide

C24H22N6O3 — CID 2511451

IUPACN-(2-methoxyphenyl)-4-[[2-[5-(2-methylphenyl)tetrazol-2-yl]acetyl]amino]benzamide
SMILESCOc1ccccc1NC(=O)c1ccc(NC(=O)Cn2nnc(-c3ccccc3C)n2)cc1
InChIInChI=1S/C24H22N6O3/c1-16-7-3-4-8-19(16)23-27-29-30(28-23)15-22(31)25-18-13-11-17(12-14-18)24(32)26-20-9-5-6-10-21(20)33-2/h3-14H,15H2,1-2H3,(H,25,31)(H,26,32)
InChIKeySIKOYXQNCGSHGV-UHFFFAOYSA-N
MW442.48 g/mol
LogP3.55
Rot. Bonds7

About N-(2-methoxyphenyl)-4-[[2-[5-(2-methylphenyl)tetrazol-2-yl]acetyl]amino]benzamide

N-(2-methoxyphenyl)-4-[[2-[5-(2-methylphenyl)tetrazol-2-yl]acetyl]amino]benzamide (PubChem CID 2511451) has the molecular formula C24H22N6O3 and a molecular weight of 442.48 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-4-[[2-[5-(2-methylphenyl)tetrazol-2-yl]acetyl]amino]benzamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-4-[[2-[5-(2-methylphenyl)tetrazol-2-yl]acetyl]amino]benzamide
PubChem CID2511451
Molecular FormulaC24H22N6O3
Molecular Weight442.48 g/mol
Exact Mass442.18
IUPAC NameN-(2-methoxyphenyl)-4-[[2-[5-(2-methylphenyl)tetrazol-2-yl]acetyl]amino]benzamide
SMILESCOc1ccccc1NC(=O)c1ccc(NC(=O)Cn2nnc(-c3ccccc3C)n2)cc1
InChIInChI=1S/C24H22N6O3/c1-16-7-3-4-8-19(16)23-27-29-30(28-23)15-22(31)25-18-13-11-17(12-14-18)24(32)26-20-9-5-6-10-21(20)33-2/h3-14H,15H2,1-2H3,(H,25,31)(H,26,32)
InChIKeySIKOYXQNCGSHGV-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

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Related Compounds

4-tert-butyl-N-[2-[2-[2-(2-methoxyanilino)-2-oxoethyl]tetrazol-5-yl]phenyl]benzamide
CID 1463770
4-methoxy-N-[2-[2-[2-(4-methylanilino)-2-oxoethyl]tetrazol-5-yl]phenyl]benzamide
CID 1463805
N-(3-chloro-4-methoxyphenyl)-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide
CID 7634847
N-[2-[2-[2-(2-methoxyanilino)-2-oxoethyl]tetrazol-5-yl]phenyl]-3-methylbenzamide
CID 1463772
N-(4-bromophenyl)-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide
CID 3424569
N-[2-[2-(2-anilino-2-oxoethyl)tetrazol-5-yl]phenyl]benzamide
CID 1455558
2-[5-(2-methylphenyl)tetrazol-2-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 3265449
N-(4-butan-2-ylphenyl)-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide
CID 16508624
N-(4-iodo-2-methylphenyl)-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide
CID 3644769
N-(2-methoxyphenyl)-2-[5-[2-[(4-methoxyphenyl)sulfonylamino]phenyl]tetrazol-2-yl]acetamide
CID 1463756
N-[2-[2-[2-(4-methoxyanilino)-2-oxoethyl]tetrazol-5-yl]phenyl]pyrazine-2-carboxamide
CID 1463834
2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]-N-(4-methylphenyl)acetamide
CID 1164686

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-4-[[2-[5-(2-methylphenyl)tetrazol-2-yl]acetyl]amino]benzamide?
The IUPAC name of N-(2-methoxyphenyl)-4-[[2-[5-(2-methylphenyl)tetrazol-2-yl]acetyl]amino]benzamide (CID 2511451) is N-(2-methoxyphenyl)-4-[[2-[5-(2-methylphenyl)tetrazol-2-yl]acetyl]amino]benzamide.
What is the SMILES notation for N-(2-methoxyphenyl)-4-[[2-[5-(2-methylphenyl)tetrazol-2-yl]acetyl]amino]benzamide?
The canonical SMILES for N-(2-methoxyphenyl)-4-[[2-[5-(2-methylphenyl)tetrazol-2-yl]acetyl]amino]benzamide is COc1ccccc1NC(=O)c1ccc(NC(=O)Cn2nnc(-c3ccccc3C)n2)cc1.
What is the InChIKey of N-(2-methoxyphenyl)-4-[[2-[5-(2-methylphenyl)tetrazol-2-yl]acetyl]amino]benzamide?
The InChIKey is SIKOYXQNCGSHGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N6O3/c1-16-7-3-4-8-19(16)23-27-29-30(28-23)15-22(31)25-18-13-11-17(12-14-18)24(32)26-20-9-5-6-10-21(20)33-2/h3-14H,15H2,1-2H3,(H,25,31)(H,26,32).
What are the key properties of N-(2-methoxyphenyl)-4-[[2-[5-(2-methylphenyl)tetrazol-2-yl]acetyl]amino]benzamide?
N-(2-methoxyphenyl)-4-[[2-[5-(2-methylphenyl)tetrazol-2-yl]acetyl]amino]benzamide 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-methoxyphenyl)-4-[[2-[5-(2-methylphenyl)tetrazol-2-yl]acetyl]amino]benzamide is sourced from PubChem (CID 2511451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).