1-(2,5-difluorophenyl)sulfonyl-N-[4-(methylcarbamoylamino)phenyl]piperidine-4-carboxamide

C20H22F2N4O4S — CID 55521485

IUPAC1-(2,5-difluorophenyl)sulfonyl-N-[4-(methylcarbamoylamino)phenyl]piperidine-4-carboxamide
SMILESCNC(=O)Nc1ccc(NC(=O)C2CCN(S(=O)(=O)c3cc(F)ccc3F)CC2)cc1
InChIInChI=1S/C20H22F2N4O4S/c1-23-20(28)25-16-5-3-15(4-6-16)24-19(27)13-8-10-26(11-9-13)31(29,30)18-12-14(21)2-7-17(18)22/h2-7,12-13H,8-11H2,1H3,(H,24,27)(H2,23,25,28)
InChIKeyXUIXRTYFAILHII-UHFFFAOYSA-N
MW452.48 g/mol
LogP2.76
Rot. Bonds5

About 1-(2,5-difluorophenyl)sulfonyl-N-[4-(methylcarbamoylamino)phenyl]piperidine-4-carboxamide

1-(2,5-difluorophenyl)sulfonyl-N-[4-(methylcarbamoylamino)phenyl]piperidine-4-carboxamide (PubChem CID 55521485) has the molecular formula C20H22F2N4O4S and a molecular weight of 452.48 g/mol. Its IUPAC name is 1-(2,5-difluorophenyl)sulfonyl-N-[4-(methylcarbamoylamino)phenyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2,5-difluorophenyl)sulfonyl-N-[4-(methylcarbamoylamino)phenyl]piperidine-4-carboxamide
PubChem CID55521485
Molecular FormulaC20H22F2N4O4S
Molecular Weight452.48 g/mol
Exact Mass452.13
IUPAC Name1-(2,5-difluorophenyl)sulfonyl-N-[4-(methylcarbamoylamino)phenyl]piperidine-4-carboxamide
SMILESCNC(=O)Nc1ccc(NC(=O)C2CCN(S(=O)(=O)c3cc(F)ccc3F)CC2)cc1
InChIInChI=1S/C20H22F2N4O4S/c1-23-20(28)25-16-5-3-15(4-6-16)24-19(27)13-8-10-26(11-9-13)31(29,30)18-12-14(21)2-7-17(18)22/h2-7,12-13H,8-11H2,1H3,(H,24,27)(H2,23,25,28)
InChIKeyXUIXRTYFAILHII-UHFFFAOYSA-N
XLogP2.76
TPSA107.61 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.48
LogP ≤ 52.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-bromophenyl)-1-(2,5-difluorophenyl)sulfonylpiperidine-4-carboxamide
CID 46823369
1-(2,5-difluorophenyl)sulfonyl-N-(3-ethynylphenyl)piperidine-4-carboxamide
CID 55514825
N-[3-(difluoromethoxy)phenyl]-1-(2,5-difluorophenyl)sulfonylpiperidine-4-carboxamide
CID 55779087
1-(2,5-difluorophenyl)sulfonyl-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]piperidine-4-carboxamide
CID 55665895
1-(2,5-difluorophenyl)sulfonyl-N-(2,5-dimethylpyrazol-3-yl)piperidine-4-carboxamide
CID 55601726
1-(2,5-difluorophenyl)sulfonyl-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]piperidine-4-carboxamide
CID 46467269
1-(2-chloro-4-fluorophenyl)sulfonyl-N-(4-ethylphenyl)piperidine-4-carboxamide
CID 123595033
1-(4-chlorophenyl)sulfonyl-N-(4-fluorophenyl)piperidine-4-carboxamide
CID 1077650
1-(2,5-difluorophenyl)sulfonyl-N-[2-(methylamino)propyl]piperidine-4-carboxamide;hydrochloride
CID 120827948
1-(2,5-difluorophenyl)sulfonyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
CID 27676149
[1-(4-chloroanilino)-1-oxopropan-2-yl] 1-(2,5-difluorophenyl)sulfonylpiperidine-4-carboxylate
CID 55394696
N-[4-(methylcarbamoylamino)phenyl]-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidine-4-carboxamide
CID 46518214

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluorophenyl)sulfonyl-N-[4-(methylcarbamoylamino)phenyl]piperidine-4-carboxamide?
The IUPAC name of 1-(2,5-difluorophenyl)sulfonyl-N-[4-(methylcarbamoylamino)phenyl]piperidine-4-carboxamide (CID 55521485) is 1-(2,5-difluorophenyl)sulfonyl-N-[4-(methylcarbamoylamino)phenyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(2,5-difluorophenyl)sulfonyl-N-[4-(methylcarbamoylamino)phenyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(2,5-difluorophenyl)sulfonyl-N-[4-(methylcarbamoylamino)phenyl]piperidine-4-carboxamide is CNC(=O)Nc1ccc(NC(=O)C2CCN(S(=O)(=O)c3cc(F)ccc3F)CC2)cc1.
What is the InChIKey of 1-(2,5-difluorophenyl)sulfonyl-N-[4-(methylcarbamoylamino)phenyl]piperidine-4-carboxamide?
The InChIKey is XUIXRTYFAILHII-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F2N4O4S/c1-23-20(28)25-16-5-3-15(4-6-16)24-19(27)13-8-10-26(11-9-13)31(29,30)18-12-14(21)2-7-17(18)22/h2-7,12-13H,8-11H2,1H3,(H,24,27)(H2,23,25,28).
What are the key properties of 1-(2,5-difluorophenyl)sulfonyl-N-[4-(methylcarbamoylamino)phenyl]piperidine-4-carboxamide?
1-(2,5-difluorophenyl)sulfonyl-N-[4-(methylcarbamoylamino)phenyl]piperidine-4-carboxamide has a molecular weight of 452.48 g/mol, XLogP of 2.76, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-difluorophenyl)sulfonyl-N-[4-(methylcarbamoylamino)phenyl]piperidine-4-carboxamide is sourced from PubChem (CID 55521485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).