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

C23H22N6O5S — CID 1463819

IUPACN-(4-methoxyphenyl)-2-[5-[2-[(4-methoxyphenyl)sulfonylamino]phenyl]tetrazol-2-yl]acetamide
SMILESCOc1ccc(NC(=O)Cn2nnc(-c3ccccc3NS(=O)(=O)c3ccc(OC)cc3)n2)cc1
InChIInChI=1S/C23H22N6O5S/c1-33-17-9-7-16(8-10-17)24-22(30)15-29-26-23(25-28-29)20-5-3-4-6-21(20)27-35(31,32)19-13-11-18(34-2)12-14-19/h3-14,27H,15H2,1-2H3,(H,24,30)
InChIKeyCEIUQBUTKGXRLH-UHFFFAOYSA-N
MW494.53 g/mol
LogP2.80
Rot. Bonds9

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

N-(4-methoxyphenyl)-2-[5-[2-[(4-methoxyphenyl)sulfonylamino]phenyl]tetrazol-2-yl]acetamide (PubChem CID 1463819) has the molecular formula C23H22N6O5S and a molecular weight of 494.53 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-2-[5-[2-[(4-methoxyphenyl)sulfonylamino]phenyl]tetrazol-2-yl]acetamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-2-[5-[2-[(4-methoxyphenyl)sulfonylamino]phenyl]tetrazol-2-yl]acetamide
PubChem CID1463819
Molecular FormulaC23H22N6O5S
Molecular Weight494.53 g/mol
Exact Mass494.14
IUPAC NameN-(4-methoxyphenyl)-2-[5-[2-[(4-methoxyphenyl)sulfonylamino]phenyl]tetrazol-2-yl]acetamide
SMILESCOc1ccc(NC(=O)Cn2nnc(-c3ccccc3NS(=O)(=O)c3ccc(OC)cc3)n2)cc1
InChIInChI=1S/C23H22N6O5S/c1-33-17-9-7-16(8-10-17)24-22(30)15-29-26-23(25-28-29)20-5-3-4-6-21(20)27-35(31,32)19-13-11-18(34-2)12-14-19/h3-14,27H,15H2,1-2H3,(H,24,30)
InChIKeyCEIUQBUTKGXRLH-UHFFFAOYSA-N
XLogP2.80
TPSA137.33 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.53
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-2-[5-[2-[(4-methoxyphenyl)sulfonylamino]phenyl]tetrazol-2-yl]acetamide?
The IUPAC name of N-(4-methoxyphenyl)-2-[5-[2-[(4-methoxyphenyl)sulfonylamino]phenyl]tetrazol-2-yl]acetamide (CID 1463819) is N-(4-methoxyphenyl)-2-[5-[2-[(4-methoxyphenyl)sulfonylamino]phenyl]tetrazol-2-yl]acetamide.
What is the SMILES notation for N-(4-methoxyphenyl)-2-[5-[2-[(4-methoxyphenyl)sulfonylamino]phenyl]tetrazol-2-yl]acetamide?
The canonical SMILES for N-(4-methoxyphenyl)-2-[5-[2-[(4-methoxyphenyl)sulfonylamino]phenyl]tetrazol-2-yl]acetamide is COc1ccc(NC(=O)Cn2nnc(-c3ccccc3NS(=O)(=O)c3ccc(OC)cc3)n2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-2-[5-[2-[(4-methoxyphenyl)sulfonylamino]phenyl]tetrazol-2-yl]acetamide?
The InChIKey is CEIUQBUTKGXRLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N6O5S/c1-33-17-9-7-16(8-10-17)24-22(30)15-29-26-23(25-28-29)20-5-3-4-6-21(20)27-35(31,32)19-13-11-18(34-2)12-14-19/h3-14,27H,15H2,1-2H3,(H,24,30).
What are the key properties of N-(4-methoxyphenyl)-2-[5-[2-[(4-methoxyphenyl)sulfonylamino]phenyl]tetrazol-2-yl]acetamide?
N-(4-methoxyphenyl)-2-[5-[2-[(4-methoxyphenyl)sulfonylamino]phenyl]tetrazol-2-yl]acetamide has a molecular weight of 494.53 g/mol, XLogP of 2.80, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-2-[5-[2-[(4-methoxyphenyl)sulfonylamino]phenyl]tetrazol-2-yl]acetamide is sourced from PubChem (CID 1463819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).