2-[5-[2-(benzenesulfonamido)phenyl]tetrazol-2-yl]-N-(4-methoxyphenyl)acetamide

C22H20N6O4S — CID 1463822

IUPAC2-[5-[2-(benzenesulfonamido)phenyl]tetrazol-2-yl]-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)Cn2nnc(-c3ccccc3NS(=O)(=O)c3ccccc3)n2)cc1
InChIInChI=1S/C22H20N6O4S/c1-32-17-13-11-16(12-14-17)23-21(29)15-28-25-22(24-27-28)19-9-5-6-10-20(19)26-33(30,31)18-7-3-2-4-8-18/h2-14,26H,15H2,1H3,(H,23,29)
InChIKeyBNODEAJLGSARQN-UHFFFAOYSA-N
MW464.51 g/mol
LogP2.79
Rot. Bonds8

About 2-[5-[2-(benzenesulfonamido)phenyl]tetrazol-2-yl]-N-(4-methoxyphenyl)acetamide

2-[5-[2-(benzenesulfonamido)phenyl]tetrazol-2-yl]-N-(4-methoxyphenyl)acetamide (PubChem CID 1463822) has the molecular formula C22H20N6O4S and a molecular weight of 464.51 g/mol. Its IUPAC name is 2-[5-[2-(benzenesulfonamido)phenyl]tetrazol-2-yl]-N-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[5-[2-(benzenesulfonamido)phenyl]tetrazol-2-yl]-N-(4-methoxyphenyl)acetamide
PubChem CID1463822
Molecular FormulaC22H20N6O4S
Molecular Weight464.51 g/mol
Exact Mass464.13
IUPAC Name2-[5-[2-(benzenesulfonamido)phenyl]tetrazol-2-yl]-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)Cn2nnc(-c3ccccc3NS(=O)(=O)c3ccccc3)n2)cc1
InChIInChI=1S/C22H20N6O4S/c1-32-17-13-11-16(12-14-17)23-21(29)15-28-25-22(24-27-28)19-9-5-6-10-20(19)26-33(30,31)18-7-3-2-4-8-18/h2-14,26H,15H2,1H3,(H,23,29)
InChIKeyBNODEAJLGSARQN-UHFFFAOYSA-N
XLogP2.79
TPSA128.10 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.51
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

2-[5-(2-fluorophenyl)-2H-tetrazol-2-yl]-N-(4-methoxyphenyl)acetamide
CID 579006
N-(2-{2-[(4-Ethoxy-phenylcarbamoyl)-methyl]-2H-tetrazol-5-yl}-phenyl)-butyramide
CID 645244
N-(2-{2-[(4-Ethoxy-phenylcarbamoyl)-methyl]-2H-tetrazol-5-yl}-phenyl)-propionamide
CID 646108
N-(2-{2-[(4-Methoxy-phenylcarbamoyl)-methyl]-2H-tetrazol-5-yl}-phenyl)-butyramide
CID 646949
2-[5-(2-Amino-phenyl)-tetrazol-2-yl]-N-(3-methoxy-phenyl)-acetamide
CID 652080
2-[5-(2-Aminophenyl)-2-tetrazolyl]-1-[4-(4-methoxyphenyl)-1-piperazinyl]ethanone
CID 1428855
N-(2-methoxyphenyl)-2-[5-[2-[(4-methoxyphenyl)sulfonylamino]phenyl]-2-tetrazolyl]acetamide
CID 1463756
2-[5-(2-Benzenesulfonylamino-phenyl)-tetrazol-2-yl]-N-(2-methoxy-phenyl)-acetamide
CID 1463759
N-(4-methoxyphenyl)-5-phenyl-1-(4-sulfamoylphenyl)-1,2,4-triazole-3-carboxamide
CID 90645138
N-methyl-2-[5-[2-[4-(trifluoromethoxy)anilino]phenyl]tetrazol-2-yl]acetamide
CID 135372855
N-(4-Ethoxy-phenyl)-2-[5-(2-fluoro-phenyl)-tetrazol-2-yl]-acetamide
CID 647795
N-[2-[2-[2-(4-ethoxyanilino)-2-oxoethyl]tetrazol-5-yl]phenyl]cyclopropanecarboxamide
CID 650575

Frequently Asked Questions

What is the IUPAC name of 2-[5-[2-(benzenesulfonamido)phenyl]tetrazol-2-yl]-N-(4-methoxyphenyl)acetamide?
The IUPAC name of 2-[5-[2-(benzenesulfonamido)phenyl]tetrazol-2-yl]-N-(4-methoxyphenyl)acetamide (CID 1463822) is 2-[5-[2-(benzenesulfonamido)phenyl]tetrazol-2-yl]-N-(4-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[5-[2-(benzenesulfonamido)phenyl]tetrazol-2-yl]-N-(4-methoxyphenyl)acetamide?
The canonical SMILES for 2-[5-[2-(benzenesulfonamido)phenyl]tetrazol-2-yl]-N-(4-methoxyphenyl)acetamide is COc1ccc(NC(=O)Cn2nnc(-c3ccccc3NS(=O)(=O)c3ccccc3)n2)cc1.
What is the InChIKey of 2-[5-[2-(benzenesulfonamido)phenyl]tetrazol-2-yl]-N-(4-methoxyphenyl)acetamide?
The InChIKey is BNODEAJLGSARQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N6O4S/c1-32-17-13-11-16(12-14-17)23-21(29)15-28-25-22(24-27-28)19-9-5-6-10-20(19)26-33(30,31)18-7-3-2-4-8-18/h2-14,26H,15H2,1H3,(H,23,29).
What are the key properties of 2-[5-[2-(benzenesulfonamido)phenyl]tetrazol-2-yl]-N-(4-methoxyphenyl)acetamide?
2-[5-[2-(benzenesulfonamido)phenyl]tetrazol-2-yl]-N-(4-methoxyphenyl)acetamide has a molecular weight of 464.51 g/mol, XLogP of 2.79, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[2-(benzenesulfonamido)phenyl]tetrazol-2-yl]-N-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 1463822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).