N-[1-(2,4-dimethylphenyl)propyl]-3-(4-methylpiperidin-1-yl)sulfonylbenzamide

C24H32N2O3S — CID 132668513

IUPACN-[1-(2,4-dimethylphenyl)propyl]-3-(4-methylpiperidin-1-yl)sulfonylbenzamide
SMILESCCC(NC(=O)c1cccc(S(=O)(=O)N2CCC(C)CC2)c1)c1ccc(C)cc1C
InChIInChI=1S/C24H32N2O3S/c1-5-23(22-10-9-18(3)15-19(22)4)25-24(27)20-7-6-8-21(16-20)30(28,29)26-13-11-17(2)12-14-26/h6-10,15-17,23H,5,11-14H2,1-4H3,(H,25,27)
InChIKeyCZGSBGOHQAOQFV-UHFFFAOYSA-N
MW428.60 g/mol
LogP4.61
Rot. Bonds6

About N-[1-(2,4-dimethylphenyl)propyl]-3-(4-methylpiperidin-1-yl)sulfonylbenzamide

N-[1-(2,4-dimethylphenyl)propyl]-3-(4-methylpiperidin-1-yl)sulfonylbenzamide (PubChem CID 132668513) has the molecular formula C24H32N2O3S and a molecular weight of 428.60 g/mol. Its IUPAC name is N-[1-(2,4-dimethylphenyl)propyl]-3-(4-methylpiperidin-1-yl)sulfonylbenzamide.

Molecular Properties

Compound NameN-[1-(2,4-dimethylphenyl)propyl]-3-(4-methylpiperidin-1-yl)sulfonylbenzamide
PubChem CID132668513
Molecular FormulaC24H32N2O3S
Molecular Weight428.60 g/mol
Exact Mass428.21
IUPAC NameN-[1-(2,4-dimethylphenyl)propyl]-3-(4-methylpiperidin-1-yl)sulfonylbenzamide
SMILESCCC(NC(=O)c1cccc(S(=O)(=O)N2CCC(C)CC2)c1)c1ccc(C)cc1C
InChIInChI=1S/C24H32N2O3S/c1-5-23(22-10-9-18(3)15-19(22)4)25-24(27)20-7-6-8-21(16-20)30(28,29)26-13-11-17(2)12-14-26/h6-10,15-17,23H,5,11-14H2,1-4H3,(H,25,27)
InChIKeyCZGSBGOHQAOQFV-UHFFFAOYSA-N
XLogP4.61
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 ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2,4-dimethylphenyl)propyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 132661342
3-(4-methylpiperidin-1-yl)sulfonyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]benzamide
CID 133191648
N-[1-(2,4-dimethylphenyl)propyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 133167103
3-(azepan-1-ylsulfonyl)-N-[1-(2,4-dimethylphenyl)ethyl]benzamide
CID 53285860
3-(azepan-1-ylsulfonyl)-N-[(1R)-1-(4-methylphenyl)propyl]benzamide
CID 99131768
3-(4-methylpiperidin-1-yl)sulfonyl-N-(1-phenylethyl)benzamide
CID 109063452
(3S)-1-(benzenesulfonyl)-N-[(1S)-1-(2,4-dimethylphenyl)propyl]piperidine-3-carboxamide
CID 125072492
3-(4-methylpiperidin-1-yl)sulfonyl-N-pentylbenzamide
CID 109063454
N-butan-2-yl-3-(3-methylpiperidin-1-yl)sulfonylbenzamide
CID 109063050
(3S)-N-[(1R)-1-(2,4-dimethylphenyl)propyl]-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 125076664
N-[(2R)-butan-2-yl]-3-piperidin-1-ylsulfonylbenzamide
CID 34269316
3-(4-methylpiperidin-1-yl)sulfonyl-N-(oxolan-2-ylmethyl)benzamide
CID 2953675

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-dimethylphenyl)propyl]-3-(4-methylpiperidin-1-yl)sulfonylbenzamide?
The IUPAC name of N-[1-(2,4-dimethylphenyl)propyl]-3-(4-methylpiperidin-1-yl)sulfonylbenzamide (CID 132668513) is N-[1-(2,4-dimethylphenyl)propyl]-3-(4-methylpiperidin-1-yl)sulfonylbenzamide.
What is the SMILES notation for N-[1-(2,4-dimethylphenyl)propyl]-3-(4-methylpiperidin-1-yl)sulfonylbenzamide?
The canonical SMILES for N-[1-(2,4-dimethylphenyl)propyl]-3-(4-methylpiperidin-1-yl)sulfonylbenzamide is CCC(NC(=O)c1cccc(S(=O)(=O)N2CCC(C)CC2)c1)c1ccc(C)cc1C.
What is the InChIKey of N-[1-(2,4-dimethylphenyl)propyl]-3-(4-methylpiperidin-1-yl)sulfonylbenzamide?
The InChIKey is CZGSBGOHQAOQFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O3S/c1-5-23(22-10-9-18(3)15-19(22)4)25-24(27)20-7-6-8-21(16-20)30(28,29)26-13-11-17(2)12-14-26/h6-10,15-17,23H,5,11-14H2,1-4H3,(H,25,27).
What are the key properties of N-[1-(2,4-dimethylphenyl)propyl]-3-(4-methylpiperidin-1-yl)sulfonylbenzamide?
N-[1-(2,4-dimethylphenyl)propyl]-3-(4-methylpiperidin-1-yl)sulfonylbenzamide has a molecular weight of 428.60 g/mol, XLogP of 4.61, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-dimethylphenyl)propyl]-3-(4-methylpiperidin-1-yl)sulfonylbenzamide is sourced from PubChem (CID 132668513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).