N-(2-fluorophenyl)-1-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]piperidine-3-carboxamide

C20H20FN3O5S — CID 126458308

IUPACN-(2-fluorophenyl)-1-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]piperidine-3-carboxamide
SMILESCn1c(=O)oc2cc(S(=O)(=O)N3CCCC(C(=O)Nc4ccccc4F)C3)ccc21
InChIInChI=1S/C20H20FN3O5S/c1-23-17-9-8-14(11-18(17)29-20(23)26)30(27,28)24-10-4-5-13(12-24)19(25)22-16-7-3-2-6-15(16)21/h2-3,6-9,11,13H,4-5,10,12H2,1H3,(H,22,25)
InChIKeyGOTOPNZUWFXEDK-UHFFFAOYSA-N
MW433.46 g/mol
LogP2.31
Rot. Bonds4

About N-(2-fluorophenyl)-1-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]piperidine-3-carboxamide

N-(2-fluorophenyl)-1-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]piperidine-3-carboxamide (PubChem CID 126458308) has the molecular formula C20H20FN3O5S and a molecular weight of 433.46 g/mol. Its IUPAC name is N-(2-fluorophenyl)-1-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-1-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]piperidine-3-carboxamide
PubChem CID126458308
Molecular FormulaC20H20FN3O5S
Molecular Weight433.46 g/mol
Exact Mass433.11
IUPAC NameN-(2-fluorophenyl)-1-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]piperidine-3-carboxamide
SMILESCn1c(=O)oc2cc(S(=O)(=O)N3CCCC(C(=O)Nc4ccccc4F)C3)ccc21
InChIInChI=1S/C20H20FN3O5S/c1-23-17-9-8-14(11-18(17)29-20(23)26)30(27,28)24-10-4-5-13(12-24)19(25)22-16-7-3-2-6-15(16)21/h2-3,6-9,11,13H,4-5,10,12H2,1H3,(H,22,25)
InChIKeyGOTOPNZUWFXEDK-UHFFFAOYSA-N
XLogP2.31
TPSA101.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.46
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-chloro-4-fluorophenyl)-1-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]piperidine-3-carboxamide
CID 20868981
1-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]-N-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)piperidine-3-carboxamide
CID 46374695
(3S)-N-(1-benzylpiperidin-4-yl)-1-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]piperidine-3-carboxamide
CID 92666555
(3R)-N-(2-fluorophenyl)-1-(4-methoxy-3-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 41302559
1-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]-N-[(1-phenylcyclopentyl)methyl]piperidine-3-carboxamide
CID 20869012
N-(2,3-dimethylcyclohexyl)-1-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]piperidine-3-carboxamide
CID 20868978
(3R)-N-(6-chloro-1,3-benzothiazol-2-yl)-1-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]piperidine-3-carboxamide
CID 92666513
3-methyl-6-[(3R)-3-(morpholine-4-carbonyl)piperidin-1-yl]sulfonyl-1,3-benzoxazol-2-one
CID 40503494
1-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]-N-(1-methyl-4-oxoimidazolidin-2-ylidene)piperidine-3-carboxamide
CID 135522124
6-[(3S)-3-(4-ethylpiperazine-1-carbonyl)piperidin-1-yl]sulfonyl-3-methyl-1,3-benzoxazol-2-one
CID 92666569
(3S)-1-(2,5-dimethylphenyl)sulfonyl-N-(2-fluorophenyl)piperidine-3-carboxamide
CID 125061964
(3R)-1-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonyl]-N-(2-fluorophenyl)piperidine-3-carboxamide
CID 92714866

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-1-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]piperidine-3-carboxamide?
The IUPAC name of N-(2-fluorophenyl)-1-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]piperidine-3-carboxamide (CID 126458308) is N-(2-fluorophenyl)-1-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]piperidine-3-carboxamide.
What is the SMILES notation for N-(2-fluorophenyl)-1-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]piperidine-3-carboxamide?
The canonical SMILES for N-(2-fluorophenyl)-1-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]piperidine-3-carboxamide is Cn1c(=O)oc2cc(S(=O)(=O)N3CCCC(C(=O)Nc4ccccc4F)C3)ccc21.
What is the InChIKey of N-(2-fluorophenyl)-1-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]piperidine-3-carboxamide?
The InChIKey is GOTOPNZUWFXEDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O5S/c1-23-17-9-8-14(11-18(17)29-20(23)26)30(27,28)24-10-4-5-13(12-24)19(25)22-16-7-3-2-6-15(16)21/h2-3,6-9,11,13H,4-5,10,12H2,1H3,(H,22,25).
What are the key properties of N-(2-fluorophenyl)-1-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]piperidine-3-carboxamide?
N-(2-fluorophenyl)-1-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]piperidine-3-carboxamide has a molecular weight of 433.46 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-1-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]piperidine-3-carboxamide is sourced from PubChem (CID 126458308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).