2,4,6-trimethyl-N-[3-[4-(4-methylbenzoyl)piperidin-1-yl]-3-oxopropyl]benzenesulfonamide

C25H32N2O4S — CID 55955439

IUPAC2,4,6-trimethyl-N-[3-[4-(4-methylbenzoyl)piperidin-1-yl]-3-oxopropyl]benzenesulfonamide
SMILESCc1ccc(C(=O)C2CCN(C(=O)CCNS(=O)(=O)c3c(C)cc(C)cc3C)CC2)cc1
InChIInChI=1S/C25H32N2O4S/c1-17-5-7-21(8-6-17)24(29)22-10-13-27(14-11-22)23(28)9-12-26-32(30,31)25-19(3)15-18(2)16-20(25)4/h5-8,15-16,22,26H,9-14H2,1-4H3
InChIKeyBMSNHXMYQCDJOM-UHFFFAOYSA-N
MW456.61 g/mol
LogP3.71
Rot. Bonds7

About 2,4,6-trimethyl-N-[3-[4-(4-methylbenzoyl)piperidin-1-yl]-3-oxopropyl]benzenesulfonamide

2,4,6-trimethyl-N-[3-[4-(4-methylbenzoyl)piperidin-1-yl]-3-oxopropyl]benzenesulfonamide (PubChem CID 55955439) has the molecular formula C25H32N2O4S and a molecular weight of 456.61 g/mol. Its IUPAC name is 2,4,6-trimethyl-N-[3-[4-(4-methylbenzoyl)piperidin-1-yl]-3-oxopropyl]benzenesulfonamide.

Molecular Properties

Compound Name2,4,6-trimethyl-N-[3-[4-(4-methylbenzoyl)piperidin-1-yl]-3-oxopropyl]benzenesulfonamide
PubChem CID55955439
Molecular FormulaC25H32N2O4S
Molecular Weight456.61 g/mol
Exact Mass456.21
IUPAC Name2,4,6-trimethyl-N-[3-[4-(4-methylbenzoyl)piperidin-1-yl]-3-oxopropyl]benzenesulfonamide
SMILESCc1ccc(C(=O)C2CCN(C(=O)CCNS(=O)(=O)c3c(C)cc(C)cc3C)CC2)cc1
InChIInChI=1S/C25H32N2O4S/c1-17-5-7-21(8-6-17)24(29)22-10-13-27(14-11-22)23(28)9-12-26-32(30,31)25-19(3)15-18(2)16-20(25)4/h5-8,15-16,22,26H,9-14H2,1-4H3
InChIKeyBMSNHXMYQCDJOM-UHFFFAOYSA-N
XLogP3.71
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.61
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(4-benzoylpiperidin-1-yl)-3-oxopropyl]-2,4,6-trimethylbenzenesulfonamide
CID 38175688
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-[hydroxy(phenyl)methyl]piperidin-1-yl]-3-oxopropyl]-2,4,6-trimethylbenzenesulfonamide
CID 55516839
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
4-(cyclopropanecarbonyl)-N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]benzenesulfonamide
CID 110626322
4-methyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzenesulfonamide
CID 17154059
N-[3-(azepan-1-yl)-3-oxopropyl]-4-methylbenzenesulfonamide
CID 9314922
2,3,5,6-tetramethyl-N-[3-(4-methylsulfonylpiperidin-1-yl)-3-oxopropyl]benzenesulfonamide
CID 90586392
N-(4-methylphenyl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 26577512
3-(2,4-dimethylphenoxy)-1-[4-(4-hydroxybenzoyl)piperidin-1-yl]propan-1-one
CID 78851712

Frequently Asked Questions

What is the IUPAC name of 2,4,6-trimethyl-N-[3-[4-(4-methylbenzoyl)piperidin-1-yl]-3-oxopropyl]benzenesulfonamide?
The IUPAC name of 2,4,6-trimethyl-N-[3-[4-(4-methylbenzoyl)piperidin-1-yl]-3-oxopropyl]benzenesulfonamide (CID 55955439) is 2,4,6-trimethyl-N-[3-[4-(4-methylbenzoyl)piperidin-1-yl]-3-oxopropyl]benzenesulfonamide.
What is the SMILES notation for 2,4,6-trimethyl-N-[3-[4-(4-methylbenzoyl)piperidin-1-yl]-3-oxopropyl]benzenesulfonamide?
The canonical SMILES for 2,4,6-trimethyl-N-[3-[4-(4-methylbenzoyl)piperidin-1-yl]-3-oxopropyl]benzenesulfonamide is Cc1ccc(C(=O)C2CCN(C(=O)CCNS(=O)(=O)c3c(C)cc(C)cc3C)CC2)cc1.
What is the InChIKey of 2,4,6-trimethyl-N-[3-[4-(4-methylbenzoyl)piperidin-1-yl]-3-oxopropyl]benzenesulfonamide?
The InChIKey is BMSNHXMYQCDJOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2O4S/c1-17-5-7-21(8-6-17)24(29)22-10-13-27(14-11-22)23(28)9-12-26-32(30,31)25-19(3)15-18(2)16-20(25)4/h5-8,15-16,22,26H,9-14H2,1-4H3.
What are the key properties of 2,4,6-trimethyl-N-[3-[4-(4-methylbenzoyl)piperidin-1-yl]-3-oxopropyl]benzenesulfonamide?
2,4,6-trimethyl-N-[3-[4-(4-methylbenzoyl)piperidin-1-yl]-3-oxopropyl]benzenesulfonamide has a molecular weight of 456.61 g/mol, XLogP of 3.71, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trimethyl-N-[3-[4-(4-methylbenzoyl)piperidin-1-yl]-3-oxopropyl]benzenesulfonamide is sourced from PubChem (CID 55955439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).