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

C17H17N5O4S — CID 6491355

IUPACN-(4-methoxyphenyl)-2-[5-(4-methylsulfonylphenyl)tetrazol-2-yl]acetamide
SMILESCOc1ccc(NC(=O)Cn2nnc(-c3ccc(S(C)(=O)=O)cc3)n2)cc1
InChIInChI=1S/C17H17N5O4S/c1-26-14-7-5-13(6-8-14)18-16(23)11-22-20-17(19-21-22)12-3-9-15(10-4-12)27(2,24)25/h3-10H,11H2,1-2H3,(H,18,23)
InChIKeyNUYLFTOBYOEAPY-UHFFFAOYSA-N
MW387.42 g/mol
LogP1.39
Rot. Bonds6

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

N-(4-methoxyphenyl)-2-[5-(4-methylsulfonylphenyl)tetrazol-2-yl]acetamide (PubChem CID 6491355) has the molecular formula C17H17N5O4S and a molecular weight of 387.42 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-2-[5-(4-methylsulfonylphenyl)tetrazol-2-yl]acetamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-2-[5-(4-methylsulfonylphenyl)tetrazol-2-yl]acetamide
PubChem CID6491355
Molecular FormulaC17H17N5O4S
Molecular Weight387.42 g/mol
Exact Mass387.10
IUPAC NameN-(4-methoxyphenyl)-2-[5-(4-methylsulfonylphenyl)tetrazol-2-yl]acetamide
SMILESCOc1ccc(NC(=O)Cn2nnc(-c3ccc(S(C)(=O)=O)cc3)n2)cc1
InChIInChI=1S/C17H17N5O4S/c1-26-14-7-5-13(6-8-14)18-16(23)11-22-20-17(19-21-22)12-3-9-15(10-4-12)27(2,24)25/h3-10H,11H2,1-2H3,(H,18,23)
InChIKeyNUYLFTOBYOEAPY-UHFFFAOYSA-N
XLogP1.39
TPSA116.07 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.42
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-2-[5-(4-methylsulfonylphenyl)tetrazol-2-yl]acetamide?
The IUPAC name of N-(4-methoxyphenyl)-2-[5-(4-methylsulfonylphenyl)tetrazol-2-yl]acetamide (CID 6491355) is N-(4-methoxyphenyl)-2-[5-(4-methylsulfonylphenyl)tetrazol-2-yl]acetamide.
What is the SMILES notation for N-(4-methoxyphenyl)-2-[5-(4-methylsulfonylphenyl)tetrazol-2-yl]acetamide?
The canonical SMILES for N-(4-methoxyphenyl)-2-[5-(4-methylsulfonylphenyl)tetrazol-2-yl]acetamide is COc1ccc(NC(=O)Cn2nnc(-c3ccc(S(C)(=O)=O)cc3)n2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-2-[5-(4-methylsulfonylphenyl)tetrazol-2-yl]acetamide?
The InChIKey is NUYLFTOBYOEAPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O4S/c1-26-14-7-5-13(6-8-14)18-16(23)11-22-20-17(19-21-22)12-3-9-15(10-4-12)27(2,24)25/h3-10H,11H2,1-2H3,(H,18,23).
What are the key properties of N-(4-methoxyphenyl)-2-[5-(4-methylsulfonylphenyl)tetrazol-2-yl]acetamide?
N-(4-methoxyphenyl)-2-[5-(4-methylsulfonylphenyl)tetrazol-2-yl]acetamide has a molecular weight of 387.42 g/mol, XLogP of 1.39, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-2-[5-(4-methylsulfonylphenyl)tetrazol-2-yl]acetamide is sourced from PubChem (CID 6491355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).