N-methyl-2-[5-(4-methylsulfonylphenyl)tetrazol-2-yl]-N-phenylacetamide

C17H17N5O3S — CID 5299245

IUPACN-methyl-2-[5-(4-methylsulfonylphenyl)tetrazol-2-yl]-N-phenylacetamide
SMILESCN(C(=O)Cn1nnc(-c2ccc(S(C)(=O)=O)cc2)n1)c1ccccc1
InChIInChI=1S/C17H17N5O3S/c1-21(14-6-4-3-5-7-14)16(23)12-22-19-17(18-20-22)13-8-10-15(11-9-13)26(2,24)25/h3-11H,12H2,1-2H3
InChIKeyXBROVHBXPGTLAC-UHFFFAOYSA-N
MW371.42 g/mol
LogP1.41
Rot. Bonds5

About N-methyl-2-[5-(4-methylsulfonylphenyl)tetrazol-2-yl]-N-phenylacetamide

N-methyl-2-[5-(4-methylsulfonylphenyl)tetrazol-2-yl]-N-phenylacetamide (PubChem CID 5299245) has the molecular formula C17H17N5O3S and a molecular weight of 371.42 g/mol. Its IUPAC name is N-methyl-2-[5-(4-methylsulfonylphenyl)tetrazol-2-yl]-N-phenylacetamide.

Molecular Properties

Compound NameN-methyl-2-[5-(4-methylsulfonylphenyl)tetrazol-2-yl]-N-phenylacetamide
PubChem CID5299245
Molecular FormulaC17H17N5O3S
Molecular Weight371.42 g/mol
Exact Mass371.11
IUPAC NameN-methyl-2-[5-(4-methylsulfonylphenyl)tetrazol-2-yl]-N-phenylacetamide
SMILESCN(C(=O)Cn1nnc(-c2ccc(S(C)(=O)=O)cc2)n1)c1ccccc1
InChIInChI=1S/C17H17N5O3S/c1-21(14-6-4-3-5-7-14)16(23)12-22-19-17(18-20-22)13-8-10-15(11-9-13)26(2,24)25/h3-11H,12H2,1-2H3
InChIKeyXBROVHBXPGTLAC-UHFFFAOYSA-N
XLogP1.41
TPSA98.05 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.42
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[5-(4-methylsulfonylphenyl)tetrazol-2-yl]-N-phenylacetamide?
The IUPAC name of N-methyl-2-[5-(4-methylsulfonylphenyl)tetrazol-2-yl]-N-phenylacetamide (CID 5299245) is N-methyl-2-[5-(4-methylsulfonylphenyl)tetrazol-2-yl]-N-phenylacetamide.
What is the SMILES notation for N-methyl-2-[5-(4-methylsulfonylphenyl)tetrazol-2-yl]-N-phenylacetamide?
The canonical SMILES for N-methyl-2-[5-(4-methylsulfonylphenyl)tetrazol-2-yl]-N-phenylacetamide is CN(C(=O)Cn1nnc(-c2ccc(S(C)(=O)=O)cc2)n1)c1ccccc1.
What is the InChIKey of N-methyl-2-[5-(4-methylsulfonylphenyl)tetrazol-2-yl]-N-phenylacetamide?
The InChIKey is XBROVHBXPGTLAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O3S/c1-21(14-6-4-3-5-7-14)16(23)12-22-19-17(18-20-22)13-8-10-15(11-9-13)26(2,24)25/h3-11H,12H2,1-2H3.
What are the key properties of N-methyl-2-[5-(4-methylsulfonylphenyl)tetrazol-2-yl]-N-phenylacetamide?
N-methyl-2-[5-(4-methylsulfonylphenyl)tetrazol-2-yl]-N-phenylacetamide has a molecular weight of 371.42 g/mol, XLogP of 1.41, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[5-(4-methylsulfonylphenyl)tetrazol-2-yl]-N-phenylacetamide is sourced from PubChem (CID 5299245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).