[1-oxo-1-(4-piperidin-1-ylsulfonylanilino)propan-2-yl] 2-(tetrazol-1-yl)benzoate

C22H24N6O5S — CID 42899900

IUPAC[1-oxo-1-(4-piperidin-1-ylsulfonylanilino)propan-2-yl] 2-(tetrazol-1-yl)benzoate
SMILESCC(OC(=O)c1ccccc1-n1cnnn1)C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C22H24N6O5S/c1-16(33-22(30)19-7-3-4-8-20(19)28-15-23-25-26-28)21(29)24-17-9-11-18(12-10-17)34(31,32)27-13-5-2-6-14-27/h3-4,7-12,15-16H,2,5-6,13-14H2,1H3,(H,24,29)
InChIKeyLGPDTCWOJJKRLR-UHFFFAOYSA-N
MW484.54 g/mol
LogP2.02
Rot. Bonds7

About [1-oxo-1-(4-piperidin-1-ylsulfonylanilino)propan-2-yl] 2-(tetrazol-1-yl)benzoate

[1-oxo-1-(4-piperidin-1-ylsulfonylanilino)propan-2-yl] 2-(tetrazol-1-yl)benzoate (PubChem CID 42899900) has the molecular formula C22H24N6O5S and a molecular weight of 484.54 g/mol. Its IUPAC name is [1-oxo-1-(4-piperidin-1-ylsulfonylanilino)propan-2-yl] 2-(tetrazol-1-yl)benzoate.

Molecular Properties

Compound Name[1-oxo-1-(4-piperidin-1-ylsulfonylanilino)propan-2-yl] 2-(tetrazol-1-yl)benzoate
PubChem CID42899900
Molecular FormulaC22H24N6O5S
Molecular Weight484.54 g/mol
Exact Mass484.15
IUPAC Name[1-oxo-1-(4-piperidin-1-ylsulfonylanilino)propan-2-yl] 2-(tetrazol-1-yl)benzoate
SMILESCC(OC(=O)c1ccccc1-n1cnnn1)C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C22H24N6O5S/c1-16(33-22(30)19-7-3-4-8-20(19)28-15-23-25-26-28)21(29)24-17-9-11-18(12-10-17)34(31,32)27-13-5-2-6-14-27/h3-4,7-12,15-16H,2,5-6,13-14H2,1H3,(H,24,29)
InChIKeyLGPDTCWOJJKRLR-UHFFFAOYSA-N
XLogP2.02
TPSA136.38 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.54
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

[1-(4-acetamidoanilino)-1-oxopropan-2-yl] 2-(tetrazol-1-yl)benzoate
CID 42899893
[(2S)-1-anilino-1-oxopropan-2-yl] 4-piperidin-1-ylsulfonylbenzoate
CID 2557001
[(2S)-1-anilino-1-oxopropan-2-yl] 2-methyl-5-piperidin-1-ylsulfonylbenzoate
CID 2573922
[(2R)-1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl] 2-(tetrazol-1-yl)benzoate
CID 7399515
[1-oxo-1-(4-piperidin-1-ylsulfonylanilino)propan-2-yl] 3,5-dimethoxybenzoate
CID 42900794
[1-(4-tert-butylanilino)-1-oxopropan-2-yl] 4-pyrrolidin-1-ylsulfonylbenzoate
CID 16527418
[(2S)-1-(4-methylanilino)-1-oxopropan-2-yl] 2-methyl-5-piperidin-1-ylsulfonylbenzoate
CID 2573802
2-phenoxy-N-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 2948246
[1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 3-(azepan-1-ylsulfonyl)benzoate
CID 24982896
[(2S)-1-oxo-1-(4-pyrrolidin-1-ylsulfonylanilino)propan-2-yl] 2-phenylacetate
CID 7874721
[(2S)-1-(3,5-dichloroanilino)-1-oxopropan-2-yl] 4-piperidin-1-ylsulfonylbenzoate
CID 2394866
[1-oxo-1-(4-piperidin-1-ylsulfonylanilino)propan-2-yl] 2-(2-methoxyphenyl)acetate
CID 25161608

Frequently Asked Questions

What is the IUPAC name of [1-oxo-1-(4-piperidin-1-ylsulfonylanilino)propan-2-yl] 2-(tetrazol-1-yl)benzoate?
The IUPAC name of [1-oxo-1-(4-piperidin-1-ylsulfonylanilino)propan-2-yl] 2-(tetrazol-1-yl)benzoate (CID 42899900) is [1-oxo-1-(4-piperidin-1-ylsulfonylanilino)propan-2-yl] 2-(tetrazol-1-yl)benzoate.
What is the SMILES notation for [1-oxo-1-(4-piperidin-1-ylsulfonylanilino)propan-2-yl] 2-(tetrazol-1-yl)benzoate?
The canonical SMILES for [1-oxo-1-(4-piperidin-1-ylsulfonylanilino)propan-2-yl] 2-(tetrazol-1-yl)benzoate is CC(OC(=O)c1ccccc1-n1cnnn1)C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1.
What is the InChIKey of [1-oxo-1-(4-piperidin-1-ylsulfonylanilino)propan-2-yl] 2-(tetrazol-1-yl)benzoate?
The InChIKey is LGPDTCWOJJKRLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O5S/c1-16(33-22(30)19-7-3-4-8-20(19)28-15-23-25-26-28)21(29)24-17-9-11-18(12-10-17)34(31,32)27-13-5-2-6-14-27/h3-4,7-12,15-16H,2,5-6,13-14H2,1H3,(H,24,29).
What are the key properties of [1-oxo-1-(4-piperidin-1-ylsulfonylanilino)propan-2-yl] 2-(tetrazol-1-yl)benzoate?
[1-oxo-1-(4-piperidin-1-ylsulfonylanilino)propan-2-yl] 2-(tetrazol-1-yl)benzoate has a molecular weight of 484.54 g/mol, XLogP of 2.02, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [1-oxo-1-(4-piperidin-1-ylsulfonylanilino)propan-2-yl] 2-(tetrazol-1-yl)benzoate is sourced from PubChem (CID 42899900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).