N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide

C22H22FN3O4S — CID 43066570

IUPACN-[[5-(4-fluorophenyl)furan-2-yl]methyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
SMILESO=C(NCc1ccc(-c2ccc(F)cc2)o1)C1CCN(S(=O)(=O)c2cccnc2)CC1
InChIInChI=1S/C22H22FN3O4S/c23-18-5-3-16(4-6-18)21-8-7-19(30-21)14-25-22(27)17-9-12-26(13-10-17)31(28,29)20-2-1-11-24-15-20/h1-8,11,15,17H,9-10,12-14H2,(H,25,27)
InChIKeySGNPWAXJVJTDSF-UHFFFAOYSA-N
MW443.50 g/mol
LogP3.20
Rot. Bonds6

About N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide

N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide (PubChem CID 43066570) has the molecular formula C22H22FN3O4S and a molecular weight of 443.50 g/mol. Its IUPAC name is N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[[5-(4-fluorophenyl)furan-2-yl]methyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
PubChem CID43066570
Molecular FormulaC22H22FN3O4S
Molecular Weight443.50 g/mol
Exact Mass443.13
IUPAC NameN-[[5-(4-fluorophenyl)furan-2-yl]methyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
SMILESO=C(NCc1ccc(-c2ccc(F)cc2)o1)C1CCN(S(=O)(=O)c2cccnc2)CC1
InChIInChI=1S/C22H22FN3O4S/c23-18-5-3-16(4-6-18)21-8-7-19(30-21)14-25-22(27)17-9-12-26(13-10-17)31(28,29)20-2-1-11-24-15-20/h1-8,11,15,17H,9-10,12-14H2,(H,25,27)
InChIKeySGNPWAXJVJTDSF-UHFFFAOYSA-N
XLogP3.20
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.50
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N'-(4-fluorobenzoyl)-1-pyridin-3-ylsulfonylpiperidine-4-carbohydrazide
CID 30885794
N-(cyclobutylmethyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 38653049
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 38868649
N-[(4-fluorophenyl)methyl]-1-pyridin-3-ylsulfonylpiperidine-3-carboxamide
CID 3242560
N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 46436053
N-[(4-pyrazol-1-ylphenyl)methyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 55753804
N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 56724154
1-(4-methylphenyl)sulfonyl-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 1077698
N-(3,3-diphenylpropyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 30892157
N-[[4-(methylcarbamoyl)phenyl]methyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 30902817
N-[2-(dimethylamino)-2-oxoethyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 30892596
N-[(2-methoxy-3-pyridinyl)methyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 30902248

Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide (CID 43066570) is N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide is O=C(NCc1ccc(-c2ccc(F)cc2)o1)C1CCN(S(=O)(=O)c2cccnc2)CC1.
What is the InChIKey of N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide?
The InChIKey is SGNPWAXJVJTDSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN3O4S/c23-18-5-3-16(4-6-18)21-8-7-19(30-21)14-25-22(27)17-9-12-26(13-10-17)31(28,29)20-2-1-11-24-15-20/h1-8,11,15,17H,9-10,12-14H2,(H,25,27).
What are the key properties of N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide?
N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide has a molecular weight of 443.50 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 43066570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).