4-methyl-N-[[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-3-yl]methyl]benzamide

C23H30N2O3S — CID 50847857

IUPAC4-methyl-N-[[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-3-yl]methyl]benzamide
SMILESCc1ccc(C(=O)NCC2CCCN(S(=O)(=O)c3c(C)cc(C)cc3C)C2)cc1
InChIInChI=1S/C23H30N2O3S/c1-16-7-9-21(10-8-16)23(26)24-14-20-6-5-11-25(15-20)29(27,28)22-18(3)12-17(2)13-19(22)4/h7-10,12-13,20H,5-6,11,14-15H2,1-4H3,(H,24,26)
InChIKeyNBBOPWNBCVLDJV-UHFFFAOYSA-N
MW414.57 g/mol
LogP3.75
Rot. Bonds5

About 4-methyl-N-[[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-3-yl]methyl]benzamide

4-methyl-N-[[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-3-yl]methyl]benzamide (PubChem CID 50847857) has the molecular formula C23H30N2O3S and a molecular weight of 414.57 g/mol. Its IUPAC name is 4-methyl-N-[[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-3-yl]methyl]benzamide.

Molecular Properties

Compound Name4-methyl-N-[[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-3-yl]methyl]benzamide
PubChem CID50847857
Molecular FormulaC23H30N2O3S
Molecular Weight414.57 g/mol
Exact Mass414.20
IUPAC Name4-methyl-N-[[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-3-yl]methyl]benzamide
SMILESCc1ccc(C(=O)NCC2CCCN(S(=O)(=O)c3c(C)cc(C)cc3C)C2)cc1
InChIInChI=1S/C23H30N2O3S/c1-16-7-9-21(10-8-16)23(26)24-14-20-6-5-11-25(15-20)29(27,28)22-18(3)12-17(2)13-19(22)4/h7-10,12-13,20H,5-6,11,14-15H2,1-4H3,(H,24,26)
InChIKeyNBBOPWNBCVLDJV-UHFFFAOYSA-N
XLogP3.75
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.57
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-3-yl]methanamine;hydrochloride
CID 119961271
N-[[(3R)-1-(4-tert-butylphenyl)sulfonylpiperidin-3-yl]methyl]benzamide
CID 92901350
N-benzyl-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-3-carboxamide
CID 4215035
N-propyl-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-3-carboxamide
CID 3518998
N-[[(3R)-1-[4-(2-methylpropyl)phenyl]sulfonylpiperidin-3-yl]methyl]benzamide
CID 92901348
4-methyl-N-[2-[(1-methylpiperidin-3-yl)methylamino]ethyl]benzamide
CID 62656966
4-(azepan-1-ylsulfonyl)-N-(cyclohexylmethyl)benzamide
CID 2666739
ethyl (3S)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-3-carboxylate
CID 7299644
N-[[1-(4-methylphenyl)sulfonylpiperidin-3-yl]methyl]propan-1-amine
CID 63879807
N-cyclopentyl-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-3-carboxamide
CID 3152152
N-(2,6-dimethylphenyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-3-carboxamide
CID 5135700
(3R)-N-(pyridin-3-ylmethyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-3-carboxamide
CID 7379275

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-3-yl]methyl]benzamide?
The IUPAC name of 4-methyl-N-[[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-3-yl]methyl]benzamide (CID 50847857) is 4-methyl-N-[[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-3-yl]methyl]benzamide.
What is the SMILES notation for 4-methyl-N-[[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-3-yl]methyl]benzamide?
The canonical SMILES for 4-methyl-N-[[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-3-yl]methyl]benzamide is Cc1ccc(C(=O)NCC2CCCN(S(=O)(=O)c3c(C)cc(C)cc3C)C2)cc1.
What is the InChIKey of 4-methyl-N-[[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-3-yl]methyl]benzamide?
The InChIKey is NBBOPWNBCVLDJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O3S/c1-16-7-9-21(10-8-16)23(26)24-14-20-6-5-11-25(15-20)29(27,28)22-18(3)12-17(2)13-19(22)4/h7-10,12-13,20H,5-6,11,14-15H2,1-4H3,(H,24,26).
What are the key properties of 4-methyl-N-[[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-3-yl]methyl]benzamide?
4-methyl-N-[[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-3-yl]methyl]benzamide has a molecular weight of 414.57 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-3-yl]methyl]benzamide is sourced from PubChem (CID 50847857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).