2,4,5-trimethyl-N-[2-[1-(4-methylbenzoyl)piperidin-4-yl]ethyl]benzenesulfonamide

C24H32N2O3S — CID 53103825

IUPAC2,4,5-trimethyl-N-[2-[1-(4-methylbenzoyl)piperidin-4-yl]ethyl]benzenesulfonamide
SMILESCc1ccc(C(=O)N2CCC(CCNS(=O)(=O)c3cc(C)c(C)cc3C)CC2)cc1
InChIInChI=1S/C24H32N2O3S/c1-17-5-7-22(8-6-17)24(27)26-13-10-21(11-14-26)9-12-25-30(28,29)23-16-19(3)18(2)15-20(23)4/h5-8,15-16,21,25H,9-14H2,1-4H3
InChIKeyHXISGUVWWOKGPW-UHFFFAOYSA-N
MW428.60 g/mol
LogP4.14
Rot. Bonds6

About 2,4,5-trimethyl-N-[2-[1-(4-methylbenzoyl)piperidin-4-yl]ethyl]benzenesulfonamide

2,4,5-trimethyl-N-[2-[1-(4-methylbenzoyl)piperidin-4-yl]ethyl]benzenesulfonamide (PubChem CID 53103825) has the molecular formula C24H32N2O3S and a molecular weight of 428.60 g/mol. Its IUPAC name is 2,4,5-trimethyl-N-[2-[1-(4-methylbenzoyl)piperidin-4-yl]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name2,4,5-trimethyl-N-[2-[1-(4-methylbenzoyl)piperidin-4-yl]ethyl]benzenesulfonamide
PubChem CID53103825
Molecular FormulaC24H32N2O3S
Molecular Weight428.60 g/mol
Exact Mass428.21
IUPAC Name2,4,5-trimethyl-N-[2-[1-(4-methylbenzoyl)piperidin-4-yl]ethyl]benzenesulfonamide
SMILESCc1ccc(C(=O)N2CCC(CCNS(=O)(=O)c3cc(C)c(C)cc3C)CC2)cc1
InChIInChI=1S/C24H32N2O3S/c1-17-5-7-22(8-6-17)24(27)26-13-10-21(11-14-26)9-12-25-30(28,29)23-16-19(3)18(2)15-20(23)4/h5-8,15-16,21,25H,9-14H2,1-4H3
InChIKeyHXISGUVWWOKGPW-UHFFFAOYSA-N
XLogP4.14
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.60
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4,5-trimethyl-N-[2-[1-(4-methylbenzoyl)piperidin-4-yl]ethyl]benzenesulfonamide?
The IUPAC name of 2,4,5-trimethyl-N-[2-[1-(4-methylbenzoyl)piperidin-4-yl]ethyl]benzenesulfonamide (CID 53103825) is 2,4,5-trimethyl-N-[2-[1-(4-methylbenzoyl)piperidin-4-yl]ethyl]benzenesulfonamide.
What is the SMILES notation for 2,4,5-trimethyl-N-[2-[1-(4-methylbenzoyl)piperidin-4-yl]ethyl]benzenesulfonamide?
The canonical SMILES for 2,4,5-trimethyl-N-[2-[1-(4-methylbenzoyl)piperidin-4-yl]ethyl]benzenesulfonamide is Cc1ccc(C(=O)N2CCC(CCNS(=O)(=O)c3cc(C)c(C)cc3C)CC2)cc1.
What is the InChIKey of 2,4,5-trimethyl-N-[2-[1-(4-methylbenzoyl)piperidin-4-yl]ethyl]benzenesulfonamide?
The InChIKey is HXISGUVWWOKGPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O3S/c1-17-5-7-22(8-6-17)24(27)26-13-10-21(11-14-26)9-12-25-30(28,29)23-16-19(3)18(2)15-20(23)4/h5-8,15-16,21,25H,9-14H2,1-4H3.
What are the key properties of 2,4,5-trimethyl-N-[2-[1-(4-methylbenzoyl)piperidin-4-yl]ethyl]benzenesulfonamide?
2,4,5-trimethyl-N-[2-[1-(4-methylbenzoyl)piperidin-4-yl]ethyl]benzenesulfonamide has a molecular weight of 428.60 g/mol, XLogP of 4.14, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5-trimethyl-N-[2-[1-(4-methylbenzoyl)piperidin-4-yl]ethyl]benzenesulfonamide is sourced from PubChem (CID 53103825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).