1-(4-carbamoylphenyl)sulfonyl-N-(3-fluoro-4-methylphenyl)piperidine-4-carboxamide

C20H22FN3O4S — CID 9081249

IUPAC1-(4-carbamoylphenyl)sulfonyl-N-(3-fluoro-4-methylphenyl)piperidine-4-carboxamide
SMILESCc1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc(C(N)=O)cc3)CC2)cc1F
InChIInChI=1S/C20H22FN3O4S/c1-13-2-5-16(12-18(13)21)23-20(26)15-8-10-24(11-9-15)29(27,28)17-6-3-14(4-7-17)19(22)25/h2-7,12,15H,8-11H2,1H3,(H2,22,25)(H,23,26)
InChIKeyMVBXPVJFGHVAPA-UHFFFAOYSA-N
MW419.48 g/mol
LogP2.27
Rot. Bonds5

About 1-(4-carbamoylphenyl)sulfonyl-N-(3-fluoro-4-methylphenyl)piperidine-4-carboxamide

1-(4-carbamoylphenyl)sulfonyl-N-(3-fluoro-4-methylphenyl)piperidine-4-carboxamide (PubChem CID 9081249) has the molecular formula C20H22FN3O4S and a molecular weight of 419.48 g/mol. Its IUPAC name is 1-(4-carbamoylphenyl)sulfonyl-N-(3-fluoro-4-methylphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-carbamoylphenyl)sulfonyl-N-(3-fluoro-4-methylphenyl)piperidine-4-carboxamide
PubChem CID9081249
Molecular FormulaC20H22FN3O4S
Molecular Weight419.48 g/mol
Exact Mass419.13
IUPAC Name1-(4-carbamoylphenyl)sulfonyl-N-(3-fluoro-4-methylphenyl)piperidine-4-carboxamide
SMILESCc1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc(C(N)=O)cc3)CC2)cc1F
InChIInChI=1S/C20H22FN3O4S/c1-13-2-5-16(12-18(13)21)23-20(26)15-8-10-24(11-9-15)29(27,28)17-6-3-14(4-7-17)19(22)25/h2-7,12,15H,8-11H2,1H3,(H2,22,25)(H,23,26)
InChIKeyMVBXPVJFGHVAPA-UHFFFAOYSA-N
XLogP2.27
TPSA109.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.48
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-difluorophenyl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 24639594
1-(4-carbamoylphenyl)sulfonyl-N-(4-ethylphenyl)piperidine-4-carboxamide
CID 9078108
1-(4-acetylphenyl)sulfonyl-N-(3-chloro-4-fluorophenyl)piperidine-4-carboxamide
CID 26695995
N-(4-chloro-3-fluorophenyl)-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 55796487
N-[4-(carbamoylamino)phenyl]-1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 33151117
1-(2-cyanophenyl)sulfonyl-N-(3-fluoro-4-methylphenyl)piperidine-4-carboxamide
CID 9081274
N-(3-fluoro-4-methylphenyl)-1-[(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)sulfonyl]piperidine-4-carboxamide
CID 53068516
1-(4-fluorophenyl)sulfonyl-N-(3-methylphenyl)piperidine-4-carboxamide
CID 1078408
1-(benzenesulfonyl)-N-(3-chloro-4-methylphenyl)piperidine-4-carboxamide
CID 1326765
N-(4-acetylphenyl)-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 4205224
1-[1-[(2R)-butan-2-yl]benzotriazol-5-yl]sulfonyl-N-(3-fluoro-4-methylphenyl)piperidine-4-carboxamide
CID 92871166
1-[1-[(2S)-butan-2-yl]benzotriazol-5-yl]sulfonyl-N-(3-fluoro-4-methylphenyl)piperidine-4-carboxamide
CID 92871167

Frequently Asked Questions

What is the IUPAC name of 1-(4-carbamoylphenyl)sulfonyl-N-(3-fluoro-4-methylphenyl)piperidine-4-carboxamide?
The IUPAC name of 1-(4-carbamoylphenyl)sulfonyl-N-(3-fluoro-4-methylphenyl)piperidine-4-carboxamide (CID 9081249) is 1-(4-carbamoylphenyl)sulfonyl-N-(3-fluoro-4-methylphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(4-carbamoylphenyl)sulfonyl-N-(3-fluoro-4-methylphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(4-carbamoylphenyl)sulfonyl-N-(3-fluoro-4-methylphenyl)piperidine-4-carboxamide is Cc1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc(C(N)=O)cc3)CC2)cc1F.
What is the InChIKey of 1-(4-carbamoylphenyl)sulfonyl-N-(3-fluoro-4-methylphenyl)piperidine-4-carboxamide?
The InChIKey is MVBXPVJFGHVAPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN3O4S/c1-13-2-5-16(12-18(13)21)23-20(26)15-8-10-24(11-9-15)29(27,28)17-6-3-14(4-7-17)19(22)25/h2-7,12,15H,8-11H2,1H3,(H2,22,25)(H,23,26).
What are the key properties of 1-(4-carbamoylphenyl)sulfonyl-N-(3-fluoro-4-methylphenyl)piperidine-4-carboxamide?
1-(4-carbamoylphenyl)sulfonyl-N-(3-fluoro-4-methylphenyl)piperidine-4-carboxamide has a molecular weight of 419.48 g/mol, XLogP of 2.27, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-carbamoylphenyl)sulfonyl-N-(3-fluoro-4-methylphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 9081249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).