2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)acetamide

C21H23FN6O3S — CID 16517350

IUPAC2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)acetamide
SMILESCc1ccc(NC(=O)Cn2nnc(-c3ccc(F)cc3)n2)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C21H23FN6O3S/c1-15-5-10-18(13-19(15)32(30,31)27-11-3-2-4-12-27)23-20(29)14-28-25-21(24-26-28)16-6-8-17(22)9-7-16/h5-10,13H,2-4,11-12,14H2,1H3,(H,23,29)
InChIKeyDXKAMYNVGPCWHU-UHFFFAOYSA-N
MW458.52 g/mol
LogP2.60
Rot. Bonds6

About 2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)acetamide

2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)acetamide (PubChem CID 16517350) has the molecular formula C21H23FN6O3S and a molecular weight of 458.52 g/mol. Its IUPAC name is 2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)acetamide
PubChem CID16517350
Molecular FormulaC21H23FN6O3S
Molecular Weight458.52 g/mol
Exact Mass458.15
IUPAC Name2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)acetamide
SMILESCc1ccc(NC(=O)Cn2nnc(-c3ccc(F)cc3)n2)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C21H23FN6O3S/c1-15-5-10-18(13-19(15)32(30,31)27-11-3-2-4-12-27)23-20(29)14-28-25-21(24-26-28)16-6-8-17(22)9-7-16/h5-10,13H,2-4,11-12,14H2,1H3,(H,23,29)
InChIKeyDXKAMYNVGPCWHU-UHFFFAOYSA-N
XLogP2.60
TPSA110.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.52
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-(azepan-1-ylsulfonyl)phenyl]-2-[5-(4-methoxyphenyl)tetrazol-2-yl]acetamide
CID 23941582
N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]propanamide
CID 26522243
N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-3,5-difluorobenzamide
CID 3602667
N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-2-(methylamino)acetamide
CID 119675127
N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-2-(2-oxoazepan-1-yl)acetamide
CID 31321213
2-(4-ethyl-2,3-dioxopiperazin-1-yl)-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)acetamide
CID 46489260
2-(4-benzylpiperazin-1-yl)-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)acetamide
CID 46489195
N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide
CID 16544865
2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-phenylacetamide
CID 860418
N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-2-(4,5-dichloro-6-oxopyrimidin-1-yl)acetamide
CID 162727526
3-amino-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)propanamide;hydrochloride
CID 119263648
2-(2,3-dihydroindol-1-yl)-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)acetamide
CID 8704410

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)acetamide?
The IUPAC name of 2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)acetamide (CID 16517350) is 2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)acetamide?
The canonical SMILES for 2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)acetamide is Cc1ccc(NC(=O)Cn2nnc(-c3ccc(F)cc3)n2)cc1S(=O)(=O)N1CCCCC1.
What is the InChIKey of 2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)acetamide?
The InChIKey is DXKAMYNVGPCWHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN6O3S/c1-15-5-10-18(13-19(15)32(30,31)27-11-3-2-4-12-27)23-20(29)14-28-25-21(24-26-28)16-6-8-17(22)9-7-16/h5-10,13H,2-4,11-12,14H2,1H3,(H,23,29).
What are the key properties of 2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)acetamide?
2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)acetamide has a molecular weight of 458.52 g/mol, XLogP of 2.60, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 16517350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).