N-[(R)-(2,4-dimethylphenyl)-phenylmethyl]-1-ethylsulfonylpiperidine-4-carboxamide

C23H30N2O3S — CID 95554601

IUPACN-[(R)-(2,4-dimethylphenyl)-phenylmethyl]-1-ethylsulfonylpiperidine-4-carboxamide
SMILESCCS(=O)(=O)N1CCC(C(=O)N[C@H](c2ccccc2)c2ccc(C)cc2C)CC1
InChIInChI=1S/C23H30N2O3S/c1-4-29(27,28)25-14-12-20(13-15-25)23(26)24-22(19-8-6-5-7-9-19)21-11-10-17(2)16-18(21)3/h5-11,16,20,22H,4,12-15H2,1-3H3,(H,24,26)/t22-/m1/s1
InChIKeyXPYANNSVRJZSCV-JOCHJYFZSA-N
MW414.57 g/mol
LogP3.57
Rot. Bonds6

About N-[(R)-(2,4-dimethylphenyl)-phenylmethyl]-1-ethylsulfonylpiperidine-4-carboxamide

N-[(R)-(2,4-dimethylphenyl)-phenylmethyl]-1-ethylsulfonylpiperidine-4-carboxamide (PubChem CID 95554601) has the molecular formula C23H30N2O3S and a molecular weight of 414.57 g/mol. Its IUPAC name is N-[(R)-(2,4-dimethylphenyl)-phenylmethyl]-1-ethylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(R)-(2,4-dimethylphenyl)-phenylmethyl]-1-ethylsulfonylpiperidine-4-carboxamide
PubChem CID95554601
Molecular FormulaC23H30N2O3S
Molecular Weight414.57 g/mol
Exact Mass414.20
IUPAC NameN-[(R)-(2,4-dimethylphenyl)-phenylmethyl]-1-ethylsulfonylpiperidine-4-carboxamide
SMILESCCS(=O)(=O)N1CCC(C(=O)N[C@H](c2ccccc2)c2ccc(C)cc2C)CC1
InChIInChI=1S/C23H30N2O3S/c1-4-29(27,28)25-14-12-20(13-15-25)23(26)24-22(19-8-6-5-7-9-19)21-11-10-17(2)16-18(21)3/h5-11,16,20,22H,4,12-15H2,1-3H3,(H,24,26)/t22-/m1/s1
InChIKeyXPYANNSVRJZSCV-JOCHJYFZSA-N
XLogP3.57
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.57
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3-methylphenyl)methylsulfonyl]-N-[(2-methylphenyl)-phenylmethyl]piperidine-4-carboxamide
CID 43916659
1-[(2-fluorophenyl)methylsulfonyl]-N-[(S)-(2-methylphenyl)-phenylmethyl]piperidine-4-carboxamide
CID 92675568
N-[1-(2,4-dimethylphenyl)propyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 133167103
N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-1-[(3-methylphenyl)methylsulfonyl]piperidine-4-carboxamide
CID 28565359
N-(2,4-dimethylphenyl)-1-ethylsulfonylpiperidine-4-carboxamide
CID 17027084
1-(2,5-dimethylphenyl)sulfonyl-N-(1-phenylethyl)piperidine-4-carboxamide
CID 133255017
1-(2,5-dimethylphenyl)sulfonyl-N-[(1R)-1-phenylethyl]piperidine-4-carboxamide
CID 100780467
1-[(3,4-dichlorophenyl)methylsulfonyl]-N-[1-(2,4-dimethylphenyl)ethyl]piperidine-4-carboxamide
CID 43916436
N-[1-(2,4-dimethylphenyl)ethyl]-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 133167121
N-[(R)-(4-methoxyphenyl)-phenylmethyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 40966975
N-[(2,4-dimethylphenyl)-phenylmethyl]-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
CID 43929009
1-[(4-bromophenyl)methylsulfonyl]-N-[(1R)-1-(2,4-dimethylphenyl)ethyl]piperidine-4-carboxamide
CID 92674415

Frequently Asked Questions

What is the IUPAC name of N-[(R)-(2,4-dimethylphenyl)-phenylmethyl]-1-ethylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-[(R)-(2,4-dimethylphenyl)-phenylmethyl]-1-ethylsulfonylpiperidine-4-carboxamide (CID 95554601) is N-[(R)-(2,4-dimethylphenyl)-phenylmethyl]-1-ethylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-[(R)-(2,4-dimethylphenyl)-phenylmethyl]-1-ethylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-[(R)-(2,4-dimethylphenyl)-phenylmethyl]-1-ethylsulfonylpiperidine-4-carboxamide is CCS(=O)(=O)N1CCC(C(=O)N[C@H](c2ccccc2)c2ccc(C)cc2C)CC1.
What is the InChIKey of N-[(R)-(2,4-dimethylphenyl)-phenylmethyl]-1-ethylsulfonylpiperidine-4-carboxamide?
The InChIKey is XPYANNSVRJZSCV-JOCHJYFZSA-N. The full InChI is InChI=1S/C23H30N2O3S/c1-4-29(27,28)25-14-12-20(13-15-25)23(26)24-22(19-8-6-5-7-9-19)21-11-10-17(2)16-18(21)3/h5-11,16,20,22H,4,12-15H2,1-3H3,(H,24,26)/t22-/m1/s1.
What are the key properties of N-[(R)-(2,4-dimethylphenyl)-phenylmethyl]-1-ethylsulfonylpiperidine-4-carboxamide?
N-[(R)-(2,4-dimethylphenyl)-phenylmethyl]-1-ethylsulfonylpiperidine-4-carboxamide has a molecular weight of 414.57 g/mol, XLogP of 3.57, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(R)-(2,4-dimethylphenyl)-phenylmethyl]-1-ethylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 95554601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).