N-[(4-ethylphenyl)methyl]-1-(4-fluorophenyl)sulfonyl-N-methylpiperidine-4-carboxamide

C22H27FN2O3S — CID 7601399

IUPACN-[(4-ethylphenyl)methyl]-1-(4-fluorophenyl)sulfonyl-N-methylpiperidine-4-carboxamide
SMILESCCc1ccc(CN(C)C(=O)C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C22H27FN2O3S/c1-3-17-4-6-18(7-5-17)16-24(2)22(26)19-12-14-25(15-13-19)29(27,28)21-10-8-20(23)9-11-21/h4-11,19H,3,12-16H2,1-2H3
InChIKeyPMNYPYQJHOREKH-UHFFFAOYSA-N
MW418.53 g/mol
LogP3.45
Rot. Bonds6

About N-[(4-ethylphenyl)methyl]-1-(4-fluorophenyl)sulfonyl-N-methylpiperidine-4-carboxamide

N-[(4-ethylphenyl)methyl]-1-(4-fluorophenyl)sulfonyl-N-methylpiperidine-4-carboxamide (PubChem CID 7601399) has the molecular formula C22H27FN2O3S and a molecular weight of 418.53 g/mol. Its IUPAC name is N-[(4-ethylphenyl)methyl]-1-(4-fluorophenyl)sulfonyl-N-methylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(4-ethylphenyl)methyl]-1-(4-fluorophenyl)sulfonyl-N-methylpiperidine-4-carboxamide
PubChem CID7601399
Molecular FormulaC22H27FN2O3S
Molecular Weight418.53 g/mol
Exact Mass418.17
IUPAC NameN-[(4-ethylphenyl)methyl]-1-(4-fluorophenyl)sulfonyl-N-methylpiperidine-4-carboxamide
SMILESCCc1ccc(CN(C)C(=O)C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C22H27FN2O3S/c1-3-17-4-6-18(7-5-17)16-24(2)22(26)19-12-14-25(15-13-19)29(27,28)21-10-8-20(23)9-11-21/h4-11,19H,3,12-16H2,1-2H3
InChIKeyPMNYPYQJHOREKH-UHFFFAOYSA-N
XLogP3.45
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.53
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-diethyl-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 1090954
N-(4-ethylphenyl)-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 1327593
N-[(4-chlorophenyl)methyl]-1-(4-fluorophenyl)sulfonyl-N-methylpiperidine-3-carboxamide
CID 55407096
1-(benzenesulfonyl)-N-[(4-methoxyphenyl)methyl]-N-methylpiperidine-4-carboxamide
CID 26250294
(3R)-1-(4-fluorophenyl)sulfonyl-N-[(4-methoxyphenyl)methyl]-N-methylpiperidine-3-carboxamide
CID 100800248
N-benzyl-N-cyclopropyl-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 38251954
1-benzylsulfonyl-N-[(4-ethylphenyl)methyl]-N-methylpiperidine-4-carboxamide
CID 39716601
N-[(4-ethylphenyl)methyl]-N-methylcyclopropanecarboxamide
CID 60630877
1-(3,4-dimethylphenyl)sulfonyl-N-methyl-N-[(4-methylsulfanylphenyl)methyl]piperidine-4-carboxamide
CID 26619213
N-[[4-(diethylaminomethyl)phenyl]methyl]-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 27332723
N-benzyl-1-(2-fluorophenyl)sulfonyl-N-methylpiperidine-4-carboxamide
CID 27665709
N-[[4-(dimethylamino)phenyl]methyl]-1-ethylsulfonyl-N-methylpiperidine-4-carboxamide
CID 36665418

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethylphenyl)methyl]-1-(4-fluorophenyl)sulfonyl-N-methylpiperidine-4-carboxamide?
The IUPAC name of N-[(4-ethylphenyl)methyl]-1-(4-fluorophenyl)sulfonyl-N-methylpiperidine-4-carboxamide (CID 7601399) is N-[(4-ethylphenyl)methyl]-1-(4-fluorophenyl)sulfonyl-N-methylpiperidine-4-carboxamide.
What is the SMILES notation for N-[(4-ethylphenyl)methyl]-1-(4-fluorophenyl)sulfonyl-N-methylpiperidine-4-carboxamide?
The canonical SMILES for N-[(4-ethylphenyl)methyl]-1-(4-fluorophenyl)sulfonyl-N-methylpiperidine-4-carboxamide is CCc1ccc(CN(C)C(=O)C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)cc1.
What is the InChIKey of N-[(4-ethylphenyl)methyl]-1-(4-fluorophenyl)sulfonyl-N-methylpiperidine-4-carboxamide?
The InChIKey is PMNYPYQJHOREKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN2O3S/c1-3-17-4-6-18(7-5-17)16-24(2)22(26)19-12-14-25(15-13-19)29(27,28)21-10-8-20(23)9-11-21/h4-11,19H,3,12-16H2,1-2H3.
What are the key properties of N-[(4-ethylphenyl)methyl]-1-(4-fluorophenyl)sulfonyl-N-methylpiperidine-4-carboxamide?
N-[(4-ethylphenyl)methyl]-1-(4-fluorophenyl)sulfonyl-N-methylpiperidine-4-carboxamide has a molecular weight of 418.53 g/mol, XLogP of 3.45, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethylphenyl)methyl]-1-(4-fluorophenyl)sulfonyl-N-methylpiperidine-4-carboxamide is sourced from PubChem (CID 7601399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).