1-(4-acetylphenyl)sulfonyl-N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)piperidine-4-carboxamide

C23H32N2O5S2 — CID 55613338

IUPAC1-(4-acetylphenyl)sulfonyl-N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)piperidine-4-carboxamide
SMILESCC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)N(CC3CCCO3)C3CCSC3)CC2)cc1
InChIInChI=1S/C23H32N2O5S2/c1-17(26)18-4-6-22(7-5-18)32(28,29)24-11-8-19(9-12-24)23(27)25(20-10-14-31-16-20)15-21-3-2-13-30-21/h4-7,19-21H,2-3,8-16H2,1H3
InChIKeyIGTGCEHZIYALDD-UHFFFAOYSA-N
MW480.65 g/mol
LogP2.80
Rot. Bonds7

About 1-(4-acetylphenyl)sulfonyl-N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)piperidine-4-carboxamide

1-(4-acetylphenyl)sulfonyl-N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)piperidine-4-carboxamide (PubChem CID 55613338) has the molecular formula C23H32N2O5S2 and a molecular weight of 480.65 g/mol. Its IUPAC name is 1-(4-acetylphenyl)sulfonyl-N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-acetylphenyl)sulfonyl-N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)piperidine-4-carboxamide
PubChem CID55613338
Molecular FormulaC23H32N2O5S2
Molecular Weight480.65 g/mol
Exact Mass480.18
IUPAC Name1-(4-acetylphenyl)sulfonyl-N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)piperidine-4-carboxamide
SMILESCC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)N(CC3CCCO3)C3CCSC3)CC2)cc1
InChIInChI=1S/C23H32N2O5S2/c1-17(26)18-4-6-22(7-5-18)32(28,29)24-11-8-19(9-12-24)23(27)25(20-10-14-31-16-20)15-21-3-2-13-30-21/h4-7,19-21H,2-3,8-16H2,1H3
InChIKeyIGTGCEHZIYALDD-UHFFFAOYSA-N
XLogP2.80
TPSA83.99 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.65
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-methylsulfonyl-N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)piperidine-3-carboxamide
CID 55613299
N-[[(2R)-oxolan-2-yl]methyl]-1-prop-2-ynyl-N-[(3R)-thiolan-3-yl]piperidine-4-carboxamide
CID 95764870
2-(3-acetylphenoxy)-N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)acetamide
CID 55613748
(E)-3-[4-(diethylsulfamoyl)phenyl]-N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)prop-2-enamide
CID 55613311
5-[[(2R)-oxolan-2-yl]methyl-[(3R)-thiolan-3-yl]carbamoyl]pyridine-2-carboxylic acid
CID 125153508
1-(4-acetylphenyl)sulfonyl-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylpiperidine-4-carboxamide
CID 55621390
4-methyl-N-[[(2S)-oxolan-2-yl]methyl]-N-[(3S)-thiolan-3-yl]thiophene-3-carboxamide
CID 97008483
1-[4-[3-(dimethylamino)pyrrolidin-1-yl]sulfonylphenyl]ethanone
CID 63222011
N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)piperidine-1-sulfonamide
CID 78860890
3-[methoxy(methyl)sulfamoyl]-N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)benzamide
CID 55613304
1-[4-[4-[(2S)-2-hydroxy-3-[[(2S)-oxolan-2-yl]methoxy]propyl]piperazin-4-ium-1-yl]sulfonylphenyl]ethanone
CID 9449994
N-[[(2R)-oxolan-2-yl]methyl]-3-phenyl-N-[(3R)-thiolan-3-yl]prop-2-ynamide
CID 96569970

Frequently Asked Questions

What is the IUPAC name of 1-(4-acetylphenyl)sulfonyl-N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)piperidine-4-carboxamide?
The IUPAC name of 1-(4-acetylphenyl)sulfonyl-N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)piperidine-4-carboxamide (CID 55613338) is 1-(4-acetylphenyl)sulfonyl-N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(4-acetylphenyl)sulfonyl-N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-(4-acetylphenyl)sulfonyl-N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)piperidine-4-carboxamide is CC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)N(CC3CCCO3)C3CCSC3)CC2)cc1.
What is the InChIKey of 1-(4-acetylphenyl)sulfonyl-N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)piperidine-4-carboxamide?
The InChIKey is IGTGCEHZIYALDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O5S2/c1-17(26)18-4-6-22(7-5-18)32(28,29)24-11-8-19(9-12-24)23(27)25(20-10-14-31-16-20)15-21-3-2-13-30-21/h4-7,19-21H,2-3,8-16H2,1H3.
What are the key properties of 1-(4-acetylphenyl)sulfonyl-N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)piperidine-4-carboxamide?
1-(4-acetylphenyl)sulfonyl-N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)piperidine-4-carboxamide has a molecular weight of 480.65 g/mol, XLogP of 2.80, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-acetylphenyl)sulfonyl-N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)piperidine-4-carboxamide is sourced from PubChem (CID 55613338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).