1-ethylsulfonyl-N-[1-(2-methylphenyl)ethyl]-4-phenylpiperidine-4-carboxamide

C23H30N2O3S — CID 78816371

IUPAC1-ethylsulfonyl-N-[1-(2-methylphenyl)ethyl]-4-phenylpiperidine-4-carboxamide
SMILESCCS(=O)(=O)N1CCC(C(=O)NC(C)c2ccccc2C)(c2ccccc2)CC1
InChIInChI=1S/C23H30N2O3S/c1-4-29(27,28)25-16-14-23(15-17-25,20-11-6-5-7-12-20)22(26)24-19(3)21-13-9-8-10-18(21)2/h5-13,19H,4,14-17H2,1-3H3,(H,24,26)
InChIKeyBWKRYYHKZBLYEV-UHFFFAOYSA-N
MW414.57 g/mol
LogP3.56
Rot. Bonds6

About 1-ethylsulfonyl-N-[1-(2-methylphenyl)ethyl]-4-phenylpiperidine-4-carboxamide

1-ethylsulfonyl-N-[1-(2-methylphenyl)ethyl]-4-phenylpiperidine-4-carboxamide (PubChem CID 78816371) has the molecular formula C23H30N2O3S and a molecular weight of 414.57 g/mol. Its IUPAC name is 1-ethylsulfonyl-N-[1-(2-methylphenyl)ethyl]-4-phenylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-ethylsulfonyl-N-[1-(2-methylphenyl)ethyl]-4-phenylpiperidine-4-carboxamide
PubChem CID78816371
Molecular FormulaC23H30N2O3S
Molecular Weight414.57 g/mol
Exact Mass414.20
IUPAC Name1-ethylsulfonyl-N-[1-(2-methylphenyl)ethyl]-4-phenylpiperidine-4-carboxamide
SMILESCCS(=O)(=O)N1CCC(C(=O)NC(C)c2ccccc2C)(c2ccccc2)CC1
InChIInChI=1S/C23H30N2O3S/c1-4-29(27,28)25-16-14-23(15-17-25,20-11-6-5-7-12-20)22(26)24-19(3)21-13-9-8-10-18(21)2/h5-13,19H,4,14-17H2,1-3H3,(H,24,26)
InChIKeyBWKRYYHKZBLYEV-UHFFFAOYSA-N
XLogP3.56
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 ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2R)-2-(ethylamino)propyl]-1-ethylsulfonyl-4-phenylpiperidine-4-carboxamide;hydrochloride
CID 120651988
N-[2-(2,6-dimethylphenoxy)ethyl]-1-ethylsulfonyl-4-phenylpiperidine-4-carboxamide
CID 78878249
N-butyl-1-ethylsulfonyl-4-phenylpiperidine-4-carboxamide
CID 78815994
1-ethylsulfonyl-4-phenyl-N-prop-2-enylpiperidine-4-carboxamide
CID 78816036
N-cyclopentyl-1-ethylsulfonyl-4-phenylpiperidine-4-carboxamide
CID 78816047
N-(2-amino-2-ethylbutyl)-1-ethylsulfonyl-4-phenylpiperidine-4-carboxamide
CID 119643803
1-ethylsulfonyl-4-phenyl-N-[(4-propan-2-yloxyphenyl)methyl]piperidine-4-carboxamide
CID 78852985
1-ethylsulfonyl-4-phenyl-N-(3-phenylprop-2-ynyl)piperidine-4-carboxamide
CID 78841149
N-[(1R)-1-(2-methoxyphenyl)ethyl]-1-phenylcyclopropane-1-carboxamide
CID 2539147
1-ethylsulfonyl-4-phenyl-N-piperidin-4-ylpiperidine-4-carboxamide;hydrochloride
CID 119390296
1-ethylsulfonyl-N-(3-phenoxypropyl)-4-phenylpiperidine-4-carboxamide
CID 78819852
N-(4-cyanophenyl)-1-ethylsulfonyl-4-phenylpiperidine-4-carboxamide
CID 78816005

Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfonyl-N-[1-(2-methylphenyl)ethyl]-4-phenylpiperidine-4-carboxamide?
The IUPAC name of 1-ethylsulfonyl-N-[1-(2-methylphenyl)ethyl]-4-phenylpiperidine-4-carboxamide (CID 78816371) is 1-ethylsulfonyl-N-[1-(2-methylphenyl)ethyl]-4-phenylpiperidine-4-carboxamide.
What is the SMILES notation for 1-ethylsulfonyl-N-[1-(2-methylphenyl)ethyl]-4-phenylpiperidine-4-carboxamide?
The canonical SMILES for 1-ethylsulfonyl-N-[1-(2-methylphenyl)ethyl]-4-phenylpiperidine-4-carboxamide is CCS(=O)(=O)N1CCC(C(=O)NC(C)c2ccccc2C)(c2ccccc2)CC1.
What is the InChIKey of 1-ethylsulfonyl-N-[1-(2-methylphenyl)ethyl]-4-phenylpiperidine-4-carboxamide?
The InChIKey is BWKRYYHKZBLYEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O3S/c1-4-29(27,28)25-16-14-23(15-17-25,20-11-6-5-7-12-20)22(26)24-19(3)21-13-9-8-10-18(21)2/h5-13,19H,4,14-17H2,1-3H3,(H,24,26).
What are the key properties of 1-ethylsulfonyl-N-[1-(2-methylphenyl)ethyl]-4-phenylpiperidine-4-carboxamide?
1-ethylsulfonyl-N-[1-(2-methylphenyl)ethyl]-4-phenylpiperidine-4-carboxamide has a molecular weight of 414.57 g/mol, XLogP of 3.56, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfonyl-N-[1-(2-methylphenyl)ethyl]-4-phenylpiperidine-4-carboxamide is sourced from PubChem (CID 78816371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).