N-(2-carbamoylphenyl)-1-[(2-fluorophenyl)methylsulfonyl]piperidine-4-carboxamide

C20H22FN3O4S — CID 28577038

IUPACN-(2-carbamoylphenyl)-1-[(2-fluorophenyl)methylsulfonyl]piperidine-4-carboxamide
SMILESNC(=O)c1ccccc1NC(=O)C1CCN(S(=O)(=O)Cc2ccccc2F)CC1
InChIInChI=1S/C20H22FN3O4S/c21-17-7-3-1-5-15(17)13-29(27,28)24-11-9-14(10-12-24)20(26)23-18-8-4-2-6-16(18)19(22)25/h1-8,14H,9-13H2,(H2,22,25)(H,23,26)
InChIKeyYWIHRCLHTPSUNO-UHFFFAOYSA-N
MW419.48 g/mol
LogP2.11
Rot. Bonds6

About N-(2-carbamoylphenyl)-1-[(2-fluorophenyl)methylsulfonyl]piperidine-4-carboxamide

N-(2-carbamoylphenyl)-1-[(2-fluorophenyl)methylsulfonyl]piperidine-4-carboxamide (PubChem CID 28577038) has the molecular formula C20H22FN3O4S and a molecular weight of 419.48 g/mol. Its IUPAC name is N-(2-carbamoylphenyl)-1-[(2-fluorophenyl)methylsulfonyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-carbamoylphenyl)-1-[(2-fluorophenyl)methylsulfonyl]piperidine-4-carboxamide
PubChem CID28577038
Molecular FormulaC20H22FN3O4S
Molecular Weight419.48 g/mol
Exact Mass419.13
IUPAC NameN-(2-carbamoylphenyl)-1-[(2-fluorophenyl)methylsulfonyl]piperidine-4-carboxamide
SMILESNC(=O)c1ccccc1NC(=O)C1CCN(S(=O)(=O)Cc2ccccc2F)CC1
InChIInChI=1S/C20H22FN3O4S/c21-17-7-3-1-5-15(17)13-29(27,28)24-11-9-14(10-12-24)20(26)23-18-8-4-2-6-16(18)19(22)25/h1-8,14H,9-13H2,(H2,22,25)(H,23,26)
InChIKeyYWIHRCLHTPSUNO-UHFFFAOYSA-N
XLogP2.11
TPSA109.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.48
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,3-dichlorophenyl)-1-[(2-fluorophenyl)methylsulfonyl]piperidine-4-carboxamide
CID 92642622
N-(3-carbamoyl-2-methylphenyl)-1-[(2-chlorophenyl)methylsulfonyl]piperidine-4-carboxamide
CID 53284031
1-[(2-chloro-6-fluorophenyl)methylsulfonyl]-N-(2-chlorophenyl)piperidine-4-carboxamide
CID 92642655
N-(3,4-dichlorophenyl)-1-[(2-fluorophenyl)methylsulfonyl]piperidine-4-carboxamide
CID 92642621
1-[(2-fluorophenyl)methylsulfonyl]-N-pentan-3-ylpiperidine-4-carboxamide
CID 53283463
1-[(2-fluorophenyl)methylsulfonyl]-N-[(2S)-pentan-2-yl]piperidine-4-carboxamide
CID 92802478
N-(4-carbamoylphenyl)-1-[(2-chlorophenyl)methylsulfonyl]piperidine-4-carboxamide
CID 46265573
N-(2,3-dichlorophenyl)-1-[(2-methylphenyl)methylsulfonyl]piperidine-4-carboxamide
CID 92642431
1-[(2-fluorophenyl)methylsulfonyl]-N-[(3-methylphenyl)methyl]piperidine-4-carboxamide
CID 28571919
N-(2-carbamoylphenyl)-1-(2,4-difluorobenzoyl)piperidine-4-carboxamide
CID 51208693
1-[(2-fluorophenyl)methylsulfonyl]-N-[1-(4-methylsulfonylphenyl)ethyl]piperidine-4-carboxamide
CID 133165622
N-[2-(tert-butylcarbamoyl)phenyl]-1-ethylsulfonylpiperidine-4-carboxamide
CID 53277973

Frequently Asked Questions

What is the IUPAC name of N-(2-carbamoylphenyl)-1-[(2-fluorophenyl)methylsulfonyl]piperidine-4-carboxamide?
The IUPAC name of N-(2-carbamoylphenyl)-1-[(2-fluorophenyl)methylsulfonyl]piperidine-4-carboxamide (CID 28577038) is N-(2-carbamoylphenyl)-1-[(2-fluorophenyl)methylsulfonyl]piperidine-4-carboxamide.
What is the SMILES notation for N-(2-carbamoylphenyl)-1-[(2-fluorophenyl)methylsulfonyl]piperidine-4-carboxamide?
The canonical SMILES for N-(2-carbamoylphenyl)-1-[(2-fluorophenyl)methylsulfonyl]piperidine-4-carboxamide is NC(=O)c1ccccc1NC(=O)C1CCN(S(=O)(=O)Cc2ccccc2F)CC1.
What is the InChIKey of N-(2-carbamoylphenyl)-1-[(2-fluorophenyl)methylsulfonyl]piperidine-4-carboxamide?
The InChIKey is YWIHRCLHTPSUNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN3O4S/c21-17-7-3-1-5-15(17)13-29(27,28)24-11-9-14(10-12-24)20(26)23-18-8-4-2-6-16(18)19(22)25/h1-8,14H,9-13H2,(H2,22,25)(H,23,26).
What are the key properties of N-(2-carbamoylphenyl)-1-[(2-fluorophenyl)methylsulfonyl]piperidine-4-carboxamide?
N-(2-carbamoylphenyl)-1-[(2-fluorophenyl)methylsulfonyl]piperidine-4-carboxamide has a molecular weight of 419.48 g/mol, XLogP of 2.11, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-carbamoylphenyl)-1-[(2-fluorophenyl)methylsulfonyl]piperidine-4-carboxamide is sourced from PubChem (CID 28577038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).