N-[5-(diethylsulfamoyl)-2-piperidin-1-ylphenyl]-2-(5-phenyltetrazol-2-yl)acetamide

C24H31N7O3S — CID 55390515

IUPACN-[5-(diethylsulfamoyl)-2-piperidin-1-ylphenyl]-2-(5-phenyltetrazol-2-yl)acetamide
SMILESCCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(NC(=O)Cn2nnc(-c3ccccc3)n2)c1
InChIInChI=1S/C24H31N7O3S/c1-3-30(4-2)35(33,34)20-13-14-22(29-15-9-6-10-16-29)21(17-20)25-23(32)18-31-27-24(26-28-31)19-11-7-5-8-12-19/h5,7-8,11-14,17H,3-4,6,9-10,15-16,18H2,1-2H3,(H,25,32)
InChIKeyLLDSKMJXGDJVIA-UHFFFAOYSA-N
MW497.63 g/mol
LogP3.00
Rot. Bonds9

About N-[5-(diethylsulfamoyl)-2-piperidin-1-ylphenyl]-2-(5-phenyltetrazol-2-yl)acetamide

N-[5-(diethylsulfamoyl)-2-piperidin-1-ylphenyl]-2-(5-phenyltetrazol-2-yl)acetamide (PubChem CID 55390515) has the molecular formula C24H31N7O3S and a molecular weight of 497.63 g/mol. Its IUPAC name is N-[5-(diethylsulfamoyl)-2-piperidin-1-ylphenyl]-2-(5-phenyltetrazol-2-yl)acetamide.

Molecular Properties

Compound NameN-[5-(diethylsulfamoyl)-2-piperidin-1-ylphenyl]-2-(5-phenyltetrazol-2-yl)acetamide
PubChem CID55390515
Molecular FormulaC24H31N7O3S
Molecular Weight497.63 g/mol
Exact Mass497.22
IUPAC NameN-[5-(diethylsulfamoyl)-2-piperidin-1-ylphenyl]-2-(5-phenyltetrazol-2-yl)acetamide
SMILESCCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(NC(=O)Cn2nnc(-c3ccccc3)n2)c1
InChIInChI=1S/C24H31N7O3S/c1-3-30(4-2)35(33,34)20-13-14-22(29-15-9-6-10-16-29)21(17-20)25-23(32)18-31-27-24(26-28-31)19-11-7-5-8-12-19/h5,7-8,11-14,17H,3-4,6,9-10,15-16,18H2,1-2H3,(H,25,32)
InChIKeyLLDSKMJXGDJVIA-UHFFFAOYSA-N
XLogP3.00
TPSA113.32 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.63
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[5-(diethylsulfamoyl)-2-piperidin-1-ylphenyl]cyclopropanecarboxamide
CID 7478657
N-[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]cyclobutanecarboxamide
CID 7551410
N-[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 4795536
N-[5-(diethylsulfamoyl)-2-piperidin-1-ylphenyl]-2-(trifluoromethylsulfanyl)acetamide
CID 55667323
2-(5-phenyltetrazol-2-yl)-N-(2-piperidin-1-yl-3-pyridinyl)acetamide
CID 55979042
N-[5-(diethylsulfamoyl)-2-piperidin-1-ylphenyl]oxane-4-carboxamide
CID 30970754
N-[5-(diethylsulfamoyl)-2-piperidin-1-ylphenyl]-2-(2,5-dimethylphenyl)sulfanylacetamide
CID 4092642
N-[5-(diethylsulfamoyl)-2-piperidin-1-ylphenyl]-3-(propanoylamino)benzamide
CID 55883022
ethyl 4-[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylanilino]-4-oxobutanoate
CID 33143034
N-[5-(diethylsulfamoyl)-2-piperidin-1-ylphenyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 135893038
N-[5-(diethylsulfamoyl)-2-piperidin-1-ylphenyl]-3,5-dimethoxybenzamide
CID 4796940
2-amino-N-[5-(diethylsulfamoyl)-2-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 119829594

Frequently Asked Questions

What is the IUPAC name of N-[5-(diethylsulfamoyl)-2-piperidin-1-ylphenyl]-2-(5-phenyltetrazol-2-yl)acetamide?
The IUPAC name of N-[5-(diethylsulfamoyl)-2-piperidin-1-ylphenyl]-2-(5-phenyltetrazol-2-yl)acetamide (CID 55390515) is N-[5-(diethylsulfamoyl)-2-piperidin-1-ylphenyl]-2-(5-phenyltetrazol-2-yl)acetamide.
What is the SMILES notation for N-[5-(diethylsulfamoyl)-2-piperidin-1-ylphenyl]-2-(5-phenyltetrazol-2-yl)acetamide?
The canonical SMILES for N-[5-(diethylsulfamoyl)-2-piperidin-1-ylphenyl]-2-(5-phenyltetrazol-2-yl)acetamide is CCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(NC(=O)Cn2nnc(-c3ccccc3)n2)c1.
What is the InChIKey of N-[5-(diethylsulfamoyl)-2-piperidin-1-ylphenyl]-2-(5-phenyltetrazol-2-yl)acetamide?
The InChIKey is LLDSKMJXGDJVIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N7O3S/c1-3-30(4-2)35(33,34)20-13-14-22(29-15-9-6-10-16-29)21(17-20)25-23(32)18-31-27-24(26-28-31)19-11-7-5-8-12-19/h5,7-8,11-14,17H,3-4,6,9-10,15-16,18H2,1-2H3,(H,25,32).
What are the key properties of N-[5-(diethylsulfamoyl)-2-piperidin-1-ylphenyl]-2-(5-phenyltetrazol-2-yl)acetamide?
N-[5-(diethylsulfamoyl)-2-piperidin-1-ylphenyl]-2-(5-phenyltetrazol-2-yl)acetamide has a molecular weight of 497.63 g/mol, XLogP of 3.00, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(diethylsulfamoyl)-2-piperidin-1-ylphenyl]-2-(5-phenyltetrazol-2-yl)acetamide is sourced from PubChem (CID 55390515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).