N-[1-(2,4-dimethylphenyl)propyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide

C24H32N2O3S — CID 133167103

IUPACN-[1-(2,4-dimethylphenyl)propyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
SMILESCCC(NC(=O)C1CCN(S(=O)(=O)c2ccc(C)cc2)CC1)c1ccc(C)cc1C
InChIInChI=1S/C24H32N2O3S/c1-5-23(22-11-8-18(3)16-19(22)4)25-24(27)20-12-14-26(15-13-20)30(28,29)21-9-6-17(2)7-10-21/h6-11,16,20,23H,5,12-15H2,1-4H3,(H,25,27)
InChIKeyDEVMWQIAUJIDNH-UHFFFAOYSA-N
MW428.60 g/mol
LogP4.28
Rot. Bonds6

About N-[1-(2,4-dimethylphenyl)propyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide

N-[1-(2,4-dimethylphenyl)propyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide (PubChem CID 133167103) has the molecular formula C24H32N2O3S and a molecular weight of 428.60 g/mol. Its IUPAC name is N-[1-(2,4-dimethylphenyl)propyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[1-(2,4-dimethylphenyl)propyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
PubChem CID133167103
Molecular FormulaC24H32N2O3S
Molecular Weight428.60 g/mol
Exact Mass428.21
IUPAC NameN-[1-(2,4-dimethylphenyl)propyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
SMILESCCC(NC(=O)C1CCN(S(=O)(=O)c2ccc(C)cc2)CC1)c1ccc(C)cc1C
InChIInChI=1S/C24H32N2O3S/c1-5-23(22-11-8-18(3)16-19(22)4)25-24(27)20-12-14-26(15-13-20)30(28,29)21-9-6-17(2)7-10-21/h6-11,16,20,23H,5,12-15H2,1-4H3,(H,25,27)
InChIKeyDEVMWQIAUJIDNH-UHFFFAOYSA-N
XLogP4.28
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 ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-N-[(1R)-1-(2,4-dimethylphenyl)propyl]-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 125076664
(3S)-1-(4-chlorophenyl)sulfonyl-N-[(1S)-1-(2,4-dimethylphenyl)propyl]piperidine-3-carboxamide
CID 125058820
N-[(1S)-1-(2,4-dimethylphenyl)propyl]-1-methylpiperidine-4-carboxamide
CID 99970775
(3S)-1-(benzenesulfonyl)-N-[(1S)-1-(2,4-dimethylphenyl)propyl]piperidine-3-carboxamide
CID 125072492
N-[(1R)-1-(2,4-dimethylphenyl)propyl]-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 94014092
1-(4-fluorophenyl)sulfonyl-N-[(1S)-1-(2-methylphenyl)propyl]piperidine-4-carboxamide
CID 100653742
N-[1-(2,4-dimethylphenyl)ethyl]-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 133167121
N-[(R)-(2,4-dimethylphenyl)-phenylmethyl]-1-ethylsulfonylpiperidine-4-carboxamide
CID 95554601
N-[1-(2,4-dimethylphenyl)propyl]-3-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 132668513
N-[(2,4-dimethylphenyl)methyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 55583735
N-[1-(4-chlorophenyl)propyl]-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 24613397
N-[1-(2,4-dimethylphenyl)propyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 132661342

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-dimethylphenyl)propyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-[1-(2,4-dimethylphenyl)propyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide (CID 133167103) is N-[1-(2,4-dimethylphenyl)propyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-[1-(2,4-dimethylphenyl)propyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-[1-(2,4-dimethylphenyl)propyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide is CCC(NC(=O)C1CCN(S(=O)(=O)c2ccc(C)cc2)CC1)c1ccc(C)cc1C.
What is the InChIKey of N-[1-(2,4-dimethylphenyl)propyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide?
The InChIKey is DEVMWQIAUJIDNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O3S/c1-5-23(22-11-8-18(3)16-19(22)4)25-24(27)20-12-14-26(15-13-20)30(28,29)21-9-6-17(2)7-10-21/h6-11,16,20,23H,5,12-15H2,1-4H3,(H,25,27).
What are the key properties of N-[1-(2,4-dimethylphenyl)propyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide?
N-[1-(2,4-dimethylphenyl)propyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide has a molecular weight of 428.60 g/mol, XLogP of 4.28, 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]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 133167103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).