N-[3-(4-benzoylpiperidin-1-yl)-3-oxopropyl]-2,4,6-trimethylbenzenesulfonamide

C24H30N2O4S — CID 38175688

IUPACN-[3-(4-benzoylpiperidin-1-yl)-3-oxopropyl]-2,4,6-trimethylbenzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)NCCC(=O)N2CCC(C(=O)c3ccccc3)CC2)c(C)c1
InChIInChI=1S/C24H30N2O4S/c1-17-15-18(2)24(19(3)16-17)31(29,30)25-12-9-22(27)26-13-10-21(11-14-26)23(28)20-7-5-4-6-8-20/h4-8,15-16,21,25H,9-14H2,1-3H3
InChIKeyBUCQCSDKJLWNBP-UHFFFAOYSA-N
MW442.58 g/mol
LogP3.40
Rot. Bonds7

About N-[3-(4-benzoylpiperidin-1-yl)-3-oxopropyl]-2,4,6-trimethylbenzenesulfonamide

N-[3-(4-benzoylpiperidin-1-yl)-3-oxopropyl]-2,4,6-trimethylbenzenesulfonamide (PubChem CID 38175688) has the molecular formula C24H30N2O4S and a molecular weight of 442.58 g/mol. Its IUPAC name is N-[3-(4-benzoylpiperidin-1-yl)-3-oxopropyl]-2,4,6-trimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[3-(4-benzoylpiperidin-1-yl)-3-oxopropyl]-2,4,6-trimethylbenzenesulfonamide
PubChem CID38175688
Molecular FormulaC24H30N2O4S
Molecular Weight442.58 g/mol
Exact Mass442.19
IUPAC NameN-[3-(4-benzoylpiperidin-1-yl)-3-oxopropyl]-2,4,6-trimethylbenzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)NCCC(=O)N2CCC(C(=O)c3ccccc3)CC2)c(C)c1
InChIInChI=1S/C24H30N2O4S/c1-17-15-18(2)24(19(3)16-17)31(29,30)25-12-9-22(27)26-13-10-21(11-14-26)23(28)20-7-5-4-6-8-20/h4-8,15-16,21,25H,9-14H2,1-3H3
InChIKeyBUCQCSDKJLWNBP-UHFFFAOYSA-N
XLogP3.40
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.58
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,4,6-trimethyl-N-[3-[4-(4-methylbenzoyl)piperidin-1-yl]-3-oxopropyl]benzenesulfonamide
CID 55955439
N-[3-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-3-oxopropyl]-2,4,6-trimethylbenzenesulfonamide
CID 55516839
N-[3-(4-aminopiperidin-1-yl)-3-oxopropyl]-2,4,6-trimethylbenzenesulfonamide
CID 119373971
N-[3-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-oxopropyl]-2,4,6-trimethylbenzenesulfonamide
CID 17420710
N-[3-(4-amino-3,3-dimethylpiperidin-1-yl)-3-oxopropyl]-2,4,6-trimethylbenzenesulfonamide;hydrochloride
CID 120817816
N-[3-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-3-oxopropyl]-2,4,6-trimethylbenzenesulfonamide;hydrochloride
CID 119636207
1-(4-benzoylpiperidin-1-yl)-3-(3-methylphenyl)propan-1-one
CID 51329229
N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]benzenesulfonamide
CID 2537450
4-benzoyl-N-(4-methylphenyl)sulfonylpiperidine-1-carboxamide
CID 110394017
2,3,5,6-tetramethyl-N-[3-(4-methylsulfonylpiperidin-1-yl)-3-oxopropyl]benzenesulfonamide
CID 90586392
phenacyl 3-[(2,4,6-trimethylphenyl)sulfonylamino]propanoate
CID 7978357
4-(cyclopropanecarbonyl)-N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]benzenesulfonamide
CID 110626322

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-benzoylpiperidin-1-yl)-3-oxopropyl]-2,4,6-trimethylbenzenesulfonamide?
The IUPAC name of N-[3-(4-benzoylpiperidin-1-yl)-3-oxopropyl]-2,4,6-trimethylbenzenesulfonamide (CID 38175688) is N-[3-(4-benzoylpiperidin-1-yl)-3-oxopropyl]-2,4,6-trimethylbenzenesulfonamide.
What is the SMILES notation for N-[3-(4-benzoylpiperidin-1-yl)-3-oxopropyl]-2,4,6-trimethylbenzenesulfonamide?
The canonical SMILES for N-[3-(4-benzoylpiperidin-1-yl)-3-oxopropyl]-2,4,6-trimethylbenzenesulfonamide is Cc1cc(C)c(S(=O)(=O)NCCC(=O)N2CCC(C(=O)c3ccccc3)CC2)c(C)c1.
What is the InChIKey of N-[3-(4-benzoylpiperidin-1-yl)-3-oxopropyl]-2,4,6-trimethylbenzenesulfonamide?
The InChIKey is BUCQCSDKJLWNBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O4S/c1-17-15-18(2)24(19(3)16-17)31(29,30)25-12-9-22(27)26-13-10-21(11-14-26)23(28)20-7-5-4-6-8-20/h4-8,15-16,21,25H,9-14H2,1-3H3.
What are the key properties of N-[3-(4-benzoylpiperidin-1-yl)-3-oxopropyl]-2,4,6-trimethylbenzenesulfonamide?
N-[3-(4-benzoylpiperidin-1-yl)-3-oxopropyl]-2,4,6-trimethylbenzenesulfonamide has a molecular weight of 442.58 g/mol, XLogP of 3.40, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-benzoylpiperidin-1-yl)-3-oxopropyl]-2,4,6-trimethylbenzenesulfonamide is sourced from PubChem (CID 38175688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).