N-(4-methylsulfonylphenyl)-2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]acetamide

C20H23N7O3S — CID 55601214

IUPACN-(4-methylsulfonylphenyl)-2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]acetamide
SMILESCS(=O)(=O)c1ccc(NC(=O)CN2CCN(c3nnnn3-c3ccccc3)CC2)cc1
InChIInChI=1S/C20H23N7O3S/c1-31(29,30)18-9-7-16(8-10-18)21-19(28)15-25-11-13-26(14-12-25)20-22-23-24-27(20)17-5-3-2-4-6-17/h2-10H,11-15H2,1H3,(H,21,28)
InChIKeyIUSJVNAFCFFVGX-UHFFFAOYSA-N
MW441.52 g/mol
LogP0.83
Rot. Bonds6

About N-(4-methylsulfonylphenyl)-2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]acetamide

N-(4-methylsulfonylphenyl)-2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]acetamide (PubChem CID 55601214) has the molecular formula C20H23N7O3S and a molecular weight of 441.52 g/mol. Its IUPAC name is N-(4-methylsulfonylphenyl)-2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-methylsulfonylphenyl)-2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]acetamide
PubChem CID55601214
Molecular FormulaC20H23N7O3S
Molecular Weight441.52 g/mol
Exact Mass441.16
IUPAC NameN-(4-methylsulfonylphenyl)-2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]acetamide
SMILESCS(=O)(=O)c1ccc(NC(=O)CN2CCN(c3nnnn3-c3ccccc3)CC2)cc1
InChIInChI=1S/C20H23N7O3S/c1-31(29,30)18-9-7-16(8-10-18)21-19(28)15-25-11-13-26(14-12-25)20-22-23-24-27(20)17-5-3-2-4-6-17/h2-10H,11-15H2,1H3,(H,21,28)
InChIKeyIUSJVNAFCFFVGX-UHFFFAOYSA-N
XLogP0.83
TPSA113.32 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.52
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

N-(4-tert-butylphenyl)-2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]acetamide
CID 33451759
2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 55601224
N-(3-fluorophenyl)-2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]acetamide
CID 9338225
2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 51119848
N-benzyl-2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]acetamide
CID 26041068
1-(4-methylsulfonylpiperazin-1-yl)-2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]ethanone
CID 55601179
N-(4-methylphenyl)-4-(1-phenyltetrazol-5-yl)piperazine-1-carboxamide
CID 134790678
2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]ethanethioamide
CID 63337234
2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide
CID 55601223
1-methylsulfonyl-4-(1-phenyltetrazol-5-yl)piperazine
CID 27306331
N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]acetamide
CID 55628324
N-(methylcarbamoyl)-3-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]propanamide
CID 55628304

Frequently Asked Questions

What is the IUPAC name of N-(4-methylsulfonylphenyl)-2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]acetamide?
The IUPAC name of N-(4-methylsulfonylphenyl)-2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]acetamide (CID 55601214) is N-(4-methylsulfonylphenyl)-2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-(4-methylsulfonylphenyl)-2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]acetamide?
The canonical SMILES for N-(4-methylsulfonylphenyl)-2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]acetamide is CS(=O)(=O)c1ccc(NC(=O)CN2CCN(c3nnnn3-c3ccccc3)CC2)cc1.
What is the InChIKey of N-(4-methylsulfonylphenyl)-2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]acetamide?
The InChIKey is IUSJVNAFCFFVGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N7O3S/c1-31(29,30)18-9-7-16(8-10-18)21-19(28)15-25-11-13-26(14-12-25)20-22-23-24-27(20)17-5-3-2-4-6-17/h2-10H,11-15H2,1H3,(H,21,28).
What are the key properties of N-(4-methylsulfonylphenyl)-2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]acetamide?
N-(4-methylsulfonylphenyl)-2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]acetamide has a molecular weight of 441.52 g/mol, XLogP of 0.83, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylsulfonylphenyl)-2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]acetamide is sourced from PubChem (CID 55601214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).