N-[1-[(2-methylsulfonylphenyl)methyl]piperidin-4-yl]-N-(pyridin-3-ylmethyl)furan-2-carboxamide

C24H27N3O4S — CID 24732581

IUPACN-[1-[(2-methylsulfonylphenyl)methyl]piperidin-4-yl]-N-(pyridin-3-ylmethyl)furan-2-carboxamide
SMILESCS(=O)(=O)c1ccccc1CN1CCC(N(Cc2cccnc2)C(=O)c2ccco2)CC1
InChIInChI=1S/C24H27N3O4S/c1-32(29,30)23-9-3-2-7-20(23)18-26-13-10-21(11-14-26)27(17-19-6-4-12-25-16-19)24(28)22-8-5-15-31-22/h2-9,12,15-16,21H,10-11,13-14,17-18H2,1H3
InChIKeyDUEYKEHGSJDWQC-UHFFFAOYSA-N
MW453.56 g/mol
LogP3.39
Rot. Bonds7

About N-[1-[(2-methylsulfonylphenyl)methyl]piperidin-4-yl]-N-(pyridin-3-ylmethyl)furan-2-carboxamide

N-[1-[(2-methylsulfonylphenyl)methyl]piperidin-4-yl]-N-(pyridin-3-ylmethyl)furan-2-carboxamide (PubChem CID 24732581) has the molecular formula C24H27N3O4S and a molecular weight of 453.56 g/mol. Its IUPAC name is N-[1-[(2-methylsulfonylphenyl)methyl]piperidin-4-yl]-N-(pyridin-3-ylmethyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[1-[(2-methylsulfonylphenyl)methyl]piperidin-4-yl]-N-(pyridin-3-ylmethyl)furan-2-carboxamide
PubChem CID24732581
Molecular FormulaC24H27N3O4S
Molecular Weight453.56 g/mol
Exact Mass453.17
IUPAC NameN-[1-[(2-methylsulfonylphenyl)methyl]piperidin-4-yl]-N-(pyridin-3-ylmethyl)furan-2-carboxamide
SMILESCS(=O)(=O)c1ccccc1CN1CCC(N(Cc2cccnc2)C(=O)c2ccco2)CC1
InChIInChI=1S/C24H27N3O4S/c1-32(29,30)23-9-3-2-7-20(23)18-26-13-10-21(11-14-26)27(17-19-6-4-12-25-16-19)24(28)22-8-5-15-31-22/h2-9,12,15-16,21H,10-11,13-14,17-18H2,1H3
InChIKeyDUEYKEHGSJDWQC-UHFFFAOYSA-N
XLogP3.39
TPSA83.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.56
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-[(2-methylsulfonylphenyl)methyl]piperidin-4-yl]-N-(pyridin-3-ylmethyl)-1,3-benzodioxole-5-carboxamide
CID 24732579
N-(cyclopropylmethyl)-N-[1-[(2-methylsulfonylphenyl)methyl]piperidin-4-yl]pyridine-3-carboxamide
CID 24732550
N-(1-benzylpiperidin-4-yl)-N-[(2-chlorophenyl)methyl]furan-2-carboxamide
CID 42696491
N-(pyridin-3-ylmethyl)-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pyridine-3-carboxamide
CID 24732544
3-methyl-N-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl]-N-(pyridin-3-ylmethyl)furan-2-carboxamide
CID 42198078
N-propan-2-yl-N-(pyridin-3-ylmethyl)furan-2-carboxamide
CID 61215927
N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]furan-2-carboxamide
CID 42759774
N-(1-benzylpiperidin-4-yl)-N-cyclopropylfuran-2-carboxamide
CID 3256683
N-(2-methoxyethyl)-4-methylsulfonyl-N-[1-[(2-methylsulfonylphenyl)methyl]piperidin-4-yl]benzamide
CID 24732571
N-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl]-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide
CID 42520313
N-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl]-N-(pyridin-3-ylmethyl)-1H-imidazole-5-carboxamide
CID 72931964
N-[1-(3-phenylpropyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)-1,3-benzodioxole-5-carboxamide
CID 24731200

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2-methylsulfonylphenyl)methyl]piperidin-4-yl]-N-(pyridin-3-ylmethyl)furan-2-carboxamide?
The IUPAC name of N-[1-[(2-methylsulfonylphenyl)methyl]piperidin-4-yl]-N-(pyridin-3-ylmethyl)furan-2-carboxamide (CID 24732581) is N-[1-[(2-methylsulfonylphenyl)methyl]piperidin-4-yl]-N-(pyridin-3-ylmethyl)furan-2-carboxamide.
What is the SMILES notation for N-[1-[(2-methylsulfonylphenyl)methyl]piperidin-4-yl]-N-(pyridin-3-ylmethyl)furan-2-carboxamide?
The canonical SMILES for N-[1-[(2-methylsulfonylphenyl)methyl]piperidin-4-yl]-N-(pyridin-3-ylmethyl)furan-2-carboxamide is CS(=O)(=O)c1ccccc1CN1CCC(N(Cc2cccnc2)C(=O)c2ccco2)CC1.
What is the InChIKey of N-[1-[(2-methylsulfonylphenyl)methyl]piperidin-4-yl]-N-(pyridin-3-ylmethyl)furan-2-carboxamide?
The InChIKey is DUEYKEHGSJDWQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O4S/c1-32(29,30)23-9-3-2-7-20(23)18-26-13-10-21(11-14-26)27(17-19-6-4-12-25-16-19)24(28)22-8-5-15-31-22/h2-9,12,15-16,21H,10-11,13-14,17-18H2,1H3.
What are the key properties of N-[1-[(2-methylsulfonylphenyl)methyl]piperidin-4-yl]-N-(pyridin-3-ylmethyl)furan-2-carboxamide?
N-[1-[(2-methylsulfonylphenyl)methyl]piperidin-4-yl]-N-(pyridin-3-ylmethyl)furan-2-carboxamide has a molecular weight of 453.56 g/mol, XLogP of 3.39, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2-methylsulfonylphenyl)methyl]piperidin-4-yl]-N-(pyridin-3-ylmethyl)furan-2-carboxamide is sourced from PubChem (CID 24732581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).