2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide

C23H30N8O3S — CID 55601223

IUPAC2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide
SMILESCC(C)NS(=O)(=O)c1ccc(NC(=O)C(C)N2CCN(c3nnnn3-c3ccccc3)CC2)cc1
InChIInChI=1S/C23H30N8O3S/c1-17(2)26-35(33,34)21-11-9-19(10-12-21)24-22(32)18(3)29-13-15-30(16-14-29)23-25-27-28-31(23)20-7-5-4-6-8-20/h4-12,17-18,26H,13-16H2,1-3H3,(H,24,32)
InChIKeyAFVVCZFHZPWJRP-UHFFFAOYSA-N
MW498.61 g/mol
LogP1.50
Rot. Bonds8

About 2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide

2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide (PubChem CID 55601223) has the molecular formula C23H30N8O3S and a molecular weight of 498.61 g/mol. Its IUPAC name is 2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide.

Molecular Properties

Compound Name2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide
PubChem CID55601223
Molecular FormulaC23H30N8O3S
Molecular Weight498.61 g/mol
Exact Mass498.22
IUPAC Name2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide
SMILESCC(C)NS(=O)(=O)c1ccc(NC(=O)C(C)N2CCN(c3nnnn3-c3ccccc3)CC2)cc1
InChIInChI=1S/C23H30N8O3S/c1-17(2)26-35(33,34)21-11-9-19(10-12-21)24-22(32)18(3)29-13-15-30(16-14-29)23-25-27-28-31(23)20-7-5-4-6-8-20/h4-12,17-18,26H,13-16H2,1-3H3,(H,24,32)
InChIKeyAFVVCZFHZPWJRP-UHFFFAOYSA-N
XLogP1.50
TPSA125.35 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.61
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]propanoic acid
CID 119924398
(2R)-2-(4-acetylpiperazin-1-yl)-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide
CID 9356723
N-(2,3-dimethylcyclohexyl)-2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]propanamide
CID 55628459
2-(4-phenylpiperazin-1-yl)-N-(4-sulfamoylphenyl)propanamide
CID 42911835
N-(4-methylsulfonylphenyl)-2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]acetamide
CID 55601214
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]propanamide
CID 55628198
2-[4-(4-cyanophenyl)-1,4-diazepan-1-yl]-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide
CID 55850324
2-[4-(diethylsulfamoyl)piperazin-1-yl]-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide
CID 55498702
N-(4-methylphenyl)-4-(1-phenyltetrazol-5-yl)piperazine-1-carboxamide
CID 134790678
N-(4-chlorophenyl)-2-(4-phenylpiperazin-1-yl)propanamide
CID 18078421
2,2-diphenyl-N-[4-(propan-2-ylsulfamoyl)phenyl]acetamide
CID 1263402
methyl 1-[(2S)-1-oxo-1-[4-(propan-2-ylsulfamoyl)anilino]propan-2-yl]piperidine-4-carboxylate
CID 9356817

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide?
The IUPAC name of 2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide (CID 55601223) is 2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide.
What is the SMILES notation for 2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide?
The canonical SMILES for 2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide is CC(C)NS(=O)(=O)c1ccc(NC(=O)C(C)N2CCN(c3nnnn3-c3ccccc3)CC2)cc1.
What is the InChIKey of 2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide?
The InChIKey is AFVVCZFHZPWJRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N8O3S/c1-17(2)26-35(33,34)21-11-9-19(10-12-21)24-22(32)18(3)29-13-15-30(16-14-29)23-25-27-28-31(23)20-7-5-4-6-8-20/h4-12,17-18,26H,13-16H2,1-3H3,(H,24,32).
What are the key properties of 2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide?
2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide has a molecular weight of 498.61 g/mol, XLogP of 1.50, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide is sourced from PubChem (CID 55601223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).