N-[3-[4-(benzenesulfonyl)piperidin-1-yl]-3-oxopropyl]-4-tert-butylbenzenesulfonamide

C24H32N2O5S2 — CID 90589242

IUPACN-[3-[4-(benzenesulfonyl)piperidin-1-yl]-3-oxopropyl]-4-tert-butylbenzenesulfonamide
SMILESCC(C)(C)c1ccc(S(=O)(=O)NCCC(=O)N2CCC(S(=O)(=O)c3ccccc3)CC2)cc1
InChIInChI=1S/C24H32N2O5S2/c1-24(2,3)19-9-11-22(12-10-19)33(30,31)25-16-13-23(27)26-17-14-21(15-18-26)32(28,29)20-7-5-4-6-8-20/h4-12,21,25H,13-18H2,1-3H3
InChIKeyLNRRCSBKEDTRNW-UHFFFAOYSA-N
MW492.66 g/mol
LogP3.12
Rot. Bonds7

About N-[3-[4-(benzenesulfonyl)piperidin-1-yl]-3-oxopropyl]-4-tert-butylbenzenesulfonamide

N-[3-[4-(benzenesulfonyl)piperidin-1-yl]-3-oxopropyl]-4-tert-butylbenzenesulfonamide (PubChem CID 90589242) has the molecular formula C24H32N2O5S2 and a molecular weight of 492.66 g/mol. Its IUPAC name is N-[3-[4-(benzenesulfonyl)piperidin-1-yl]-3-oxopropyl]-4-tert-butylbenzenesulfonamide.

Molecular Properties

Compound NameN-[3-[4-(benzenesulfonyl)piperidin-1-yl]-3-oxopropyl]-4-tert-butylbenzenesulfonamide
PubChem CID90589242
Molecular FormulaC24H32N2O5S2
Molecular Weight492.66 g/mol
Exact Mass492.18
IUPAC NameN-[3-[4-(benzenesulfonyl)piperidin-1-yl]-3-oxopropyl]-4-tert-butylbenzenesulfonamide
SMILESCC(C)(C)c1ccc(S(=O)(=O)NCCC(=O)N2CCC(S(=O)(=O)c3ccccc3)CC2)cc1
InChIInChI=1S/C24H32N2O5S2/c1-24(2,3)19-9-11-22(12-10-19)33(30,31)25-16-13-23(27)26-17-14-21(15-18-26)32(28,29)20-7-5-4-6-8-20/h4-12,21,25H,13-18H2,1-3H3
InChIKeyLNRRCSBKEDTRNW-UHFFFAOYSA-N
XLogP3.12
TPSA100.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.66
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]benzenesulfonamide
CID 2537450
N-[3-[4-(benzenesulfonyl)piperidin-1-yl]-3-oxopropyl]-3-chloro-4-fluorobenzenesulfonamide
CID 90589237
4-tert-butyl-N-[3-oxo-3-(4-propan-2-ylpiperazin-1-yl)propyl]benzenesulfonamide
CID 55588604
N-[3-[4-(ethylaminomethyl)piperidin-1-yl]-3-oxopropyl]benzenesulfonamide
CID 119647023
1-[4-(benzenesulfonyl)piperidin-1-yl]-3,3-dimethylbutan-1-one
CID 90589120
3-chloro-N-[3-[4-(4-methoxyphenyl)sulfonylpiperidin-1-yl]-3-oxopropyl]benzenesulfonamide
CID 121140727
4-tert-butyl-N-[3-oxo-3-[(3R)-3-(triazol-2-yl)pyrrolidin-1-yl]propyl]benzenesulfonamide
CID 124892637
2,6-difluoro-N-[3-[4-(4-fluorophenyl)sulfonylpiperidin-1-yl]-3-oxopropyl]benzenesulfonamide
CID 90589644
4-tert-butyl-N-[3-[3-(methylamino)piperidin-1-yl]-3-oxopropyl]benzenesulfonamide;hydrochloride
CID 119492656
N-[1-[3-[(4-bromophenyl)sulfonylamino]propanoyl]piperidin-4-yl]benzamide
CID 37019523
N-[3-[3-(aminomethyl)pyrrolidin-1-yl]-3-oxopropyl]benzenesulfonamide
CID 119485949
4-tert-butyl-N-[3-oxo-3-[3-(4-phenyltriazol-1-yl)pyrrolidin-1-yl]propyl]benzenesulfonamide
CID 121149967

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(benzenesulfonyl)piperidin-1-yl]-3-oxopropyl]-4-tert-butylbenzenesulfonamide?
The IUPAC name of N-[3-[4-(benzenesulfonyl)piperidin-1-yl]-3-oxopropyl]-4-tert-butylbenzenesulfonamide (CID 90589242) is N-[3-[4-(benzenesulfonyl)piperidin-1-yl]-3-oxopropyl]-4-tert-butylbenzenesulfonamide.
What is the SMILES notation for N-[3-[4-(benzenesulfonyl)piperidin-1-yl]-3-oxopropyl]-4-tert-butylbenzenesulfonamide?
The canonical SMILES for N-[3-[4-(benzenesulfonyl)piperidin-1-yl]-3-oxopropyl]-4-tert-butylbenzenesulfonamide is CC(C)(C)c1ccc(S(=O)(=O)NCCC(=O)N2CCC(S(=O)(=O)c3ccccc3)CC2)cc1.
What is the InChIKey of N-[3-[4-(benzenesulfonyl)piperidin-1-yl]-3-oxopropyl]-4-tert-butylbenzenesulfonamide?
The InChIKey is LNRRCSBKEDTRNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O5S2/c1-24(2,3)19-9-11-22(12-10-19)33(30,31)25-16-13-23(27)26-17-14-21(15-18-26)32(28,29)20-7-5-4-6-8-20/h4-12,21,25H,13-18H2,1-3H3.
What are the key properties of N-[3-[4-(benzenesulfonyl)piperidin-1-yl]-3-oxopropyl]-4-tert-butylbenzenesulfonamide?
N-[3-[4-(benzenesulfonyl)piperidin-1-yl]-3-oxopropyl]-4-tert-butylbenzenesulfonamide has a molecular weight of 492.66 g/mol, XLogP of 3.12, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(benzenesulfonyl)piperidin-1-yl]-3-oxopropyl]-4-tert-butylbenzenesulfonamide is sourced from PubChem (CID 90589242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).