N-[(2-fluorophenyl)methyl]-1-(2-methylphenyl)sulfonylpiperidine-4-carboxamide

C20H23FN2O3S — CID 113004210

IUPACN-[(2-fluorophenyl)methyl]-1-(2-methylphenyl)sulfonylpiperidine-4-carboxamide
SMILESCc1ccccc1S(=O)(=O)N1CCC(C(=O)NCc2ccccc2F)CC1
InChIInChI=1S/C20H23FN2O3S/c1-15-6-2-5-9-19(15)27(25,26)23-12-10-16(11-13-23)20(24)22-14-17-7-3-4-8-18(17)21/h2-9,16H,10-14H2,1H3,(H,22,24)
InChIKeyWTDCOJIMSAPTRF-UHFFFAOYSA-N
MW390.48 g/mol
LogP2.85
Rot. Bonds5

About N-[(2-fluorophenyl)methyl]-1-(2-methylphenyl)sulfonylpiperidine-4-carboxamide

N-[(2-fluorophenyl)methyl]-1-(2-methylphenyl)sulfonylpiperidine-4-carboxamide (PubChem CID 113004210) has the molecular formula C20H23FN2O3S and a molecular weight of 390.48 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-1-(2-methylphenyl)sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-1-(2-methylphenyl)sulfonylpiperidine-4-carboxamide
PubChem CID113004210
Molecular FormulaC20H23FN2O3S
Molecular Weight390.48 g/mol
Exact Mass390.14
IUPAC NameN-[(2-fluorophenyl)methyl]-1-(2-methylphenyl)sulfonylpiperidine-4-carboxamide
SMILESCc1ccccc1S(=O)(=O)N1CCC(C(=O)NCc2ccccc2F)CC1
InChIInChI=1S/C20H23FN2O3S/c1-15-6-2-5-9-19(15)27(25,26)23-12-10-16(11-13-23)20(24)22-14-17-7-3-4-8-18(17)21/h2-9,16H,10-14H2,1H3,(H,22,24)
InChIKeyWTDCOJIMSAPTRF-UHFFFAOYSA-N
XLogP2.85
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.48
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-methylphenyl)methyl]-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide
CID 27839070
1-(2-cyanophenyl)sulfonyl-N-[(2-methylphenyl)methyl]piperidine-4-carboxamide
CID 26928378
N-ethyl-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 40630207
N-[[2-(dimethylamino)-3-pyridinyl]methyl]-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 55692860
1-(4-cyanophenyl)sulfonyl-N-[(2-fluorophenyl)methyl]piperidine-4-carboxamide
CID 9087861
N-[(2-methylphenyl)methyl]-1-(3-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 113003987
1-(2-fluorophenyl)sulfonyl-N-[2-(methylamino)ethyl]piperidine-4-carboxamide;hydrochloride
CID 119501151
ethyl 4-[(2-fluorophenyl)methylcarbamoyl]piperidine-1-carboxylate
CID 26241437
1-[(2,4-dichlorophenyl)methylsulfonyl]-N-[(2-fluorophenyl)methyl]piperidine-4-carboxamide
CID 53283175
1-[4-[2-(dimethylamino)ethoxy]phenyl]sulfonyl-N-[(2-fluorophenyl)methyl]piperidine-4-carboxamide
CID 146443146
3-[[1-(2-fluorophenyl)sulfonylpiperidine-4-carbonyl]amino]-2-methylpropanoic acid
CID 119237158
1-(2-fluorophenyl)sulfonyl-N-(3-methylbutyl)piperidine-4-carboxamide
CID 24640967

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-1-(2-methylphenyl)sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-[(2-fluorophenyl)methyl]-1-(2-methylphenyl)sulfonylpiperidine-4-carboxamide (CID 113004210) is N-[(2-fluorophenyl)methyl]-1-(2-methylphenyl)sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-1-(2-methylphenyl)sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-1-(2-methylphenyl)sulfonylpiperidine-4-carboxamide is Cc1ccccc1S(=O)(=O)N1CCC(C(=O)NCc2ccccc2F)CC1.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-1-(2-methylphenyl)sulfonylpiperidine-4-carboxamide?
The InChIKey is WTDCOJIMSAPTRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O3S/c1-15-6-2-5-9-19(15)27(25,26)23-12-10-16(11-13-23)20(24)22-14-17-7-3-4-8-18(17)21/h2-9,16H,10-14H2,1H3,(H,22,24).
What are the key properties of N-[(2-fluorophenyl)methyl]-1-(2-methylphenyl)sulfonylpiperidine-4-carboxamide?
N-[(2-fluorophenyl)methyl]-1-(2-methylphenyl)sulfonylpiperidine-4-carboxamide has a molecular weight of 390.48 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-1-(2-methylphenyl)sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 113004210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).