2-methyl-5-piperidin-1-ylsulfonyl-N-[1-(2,4,5-trimethylphenyl)ethyl]benzamide

C24H32N2O3S — CID 133217999

IUPAC2-methyl-5-piperidin-1-ylsulfonyl-N-[1-(2,4,5-trimethylphenyl)ethyl]benzamide
SMILESCc1cc(C)c(C(C)NC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2C)cc1C
InChIInChI=1S/C24H32N2O3S/c1-16-9-10-21(30(28,29)26-11-7-6-8-12-26)15-23(16)24(27)25-20(5)22-14-18(3)17(2)13-19(22)4/h9-10,13-15,20H,6-8,11-12H2,1-5H3,(H,25,27)
InChIKeyQEEKTMNLGCVZKT-UHFFFAOYSA-N
MW428.60 g/mol
LogP4.59
Rot. Bonds5

About 2-methyl-5-piperidin-1-ylsulfonyl-N-[1-(2,4,5-trimethylphenyl)ethyl]benzamide

2-methyl-5-piperidin-1-ylsulfonyl-N-[1-(2,4,5-trimethylphenyl)ethyl]benzamide (PubChem CID 133217999) has the molecular formula C24H32N2O3S and a molecular weight of 428.60 g/mol. Its IUPAC name is 2-methyl-5-piperidin-1-ylsulfonyl-N-[1-(2,4,5-trimethylphenyl)ethyl]benzamide.

Molecular Properties

Compound Name2-methyl-5-piperidin-1-ylsulfonyl-N-[1-(2,4,5-trimethylphenyl)ethyl]benzamide
PubChem CID133217999
Molecular FormulaC24H32N2O3S
Molecular Weight428.60 g/mol
Exact Mass428.21
IUPAC Name2-methyl-5-piperidin-1-ylsulfonyl-N-[1-(2,4,5-trimethylphenyl)ethyl]benzamide
SMILESCc1cc(C)c(C(C)NC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2C)cc1C
InChIInChI=1S/C24H32N2O3S/c1-16-9-10-21(30(28,29)26-11-7-6-8-12-26)15-23(16)24(27)25-20(5)22-14-18(3)17(2)13-19(22)4/h9-10,13-15,20H,6-8,11-12H2,1-5H3,(H,25,27)
InChIKeyQEEKTMNLGCVZKT-UHFFFAOYSA-N
XLogP4.59
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.60
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-5-pyrrolidin-1-ylsulfonyl-N-[1-(2,4,5-trimethylphenyl)ethyl]benzamide
CID 133218003
5-(azepan-1-ylsulfonyl)-N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-2-methylbenzamide
CID 99130925
N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-2-methyl-5-piperidin-1-ylsulfonylbenzamide
CID 51533910
N-[1-(2,5-dimethylphenyl)ethyl]-2-methyl-5-pyrrolidin-1-ylsulfonylbenzamide
CID 53281826
2-methyl-N-[1-(4-methylphenyl)ethyl]-5-piperidin-1-ylsulfonylbenzamide
CID 43875293
2-methyl-N-[(1S)-1-(4-methylphenyl)ethyl]-5-piperidin-1-ylsulfonylbenzamide
CID 28564653
5-(azepan-1-ylsulfonyl)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-2-methoxybenzamide
CID 93486725
N-[(1S)-1-(4-fluorophenyl)ethyl]-2-methyl-5-pyrrolidin-1-ylsulfonylbenzamide
CID 41077425
N-[1-(4-methoxyphenyl)ethyl]-2-methyl-5-piperidin-1-ylsulfonylbenzamide
CID 53281847
N-[1-(2,4-dimethylphenyl)ethyl]-2-methyl-5-morpholin-4-ylsulfonylbenzamide
CID 43885091
4-methyl-3-pyrrolidin-1-ylsulfonyl-N-[1-(2,4,5-trimethylphenyl)ethyl]benzamide
CID 133217956
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-methyl-5-piperidin-1-ylsulfonylbenzamide
CID 133165214

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-piperidin-1-ylsulfonyl-N-[1-(2,4,5-trimethylphenyl)ethyl]benzamide?
The IUPAC name of 2-methyl-5-piperidin-1-ylsulfonyl-N-[1-(2,4,5-trimethylphenyl)ethyl]benzamide (CID 133217999) is 2-methyl-5-piperidin-1-ylsulfonyl-N-[1-(2,4,5-trimethylphenyl)ethyl]benzamide.
What is the SMILES notation for 2-methyl-5-piperidin-1-ylsulfonyl-N-[1-(2,4,5-trimethylphenyl)ethyl]benzamide?
The canonical SMILES for 2-methyl-5-piperidin-1-ylsulfonyl-N-[1-(2,4,5-trimethylphenyl)ethyl]benzamide is Cc1cc(C)c(C(C)NC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2C)cc1C.
What is the InChIKey of 2-methyl-5-piperidin-1-ylsulfonyl-N-[1-(2,4,5-trimethylphenyl)ethyl]benzamide?
The InChIKey is QEEKTMNLGCVZKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O3S/c1-16-9-10-21(30(28,29)26-11-7-6-8-12-26)15-23(16)24(27)25-20(5)22-14-18(3)17(2)13-19(22)4/h9-10,13-15,20H,6-8,11-12H2,1-5H3,(H,25,27).
What are the key properties of 2-methyl-5-piperidin-1-ylsulfonyl-N-[1-(2,4,5-trimethylphenyl)ethyl]benzamide?
2-methyl-5-piperidin-1-ylsulfonyl-N-[1-(2,4,5-trimethylphenyl)ethyl]benzamide has a molecular weight of 428.60 g/mol, XLogP of 4.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-piperidin-1-ylsulfonyl-N-[1-(2,4,5-trimethylphenyl)ethyl]benzamide is sourced from PubChem (CID 133217999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).