1-[5-[(4-methoxyphenyl)sulfonylmethyl]furan-2-carbonyl]piperidine-4-carboxamide

C19H22N2O6S — CID 3593873

IUPAC1-[5-[(4-methoxyphenyl)sulfonylmethyl]furan-2-carbonyl]piperidine-4-carboxamide
SMILESCOc1ccc(S(=O)(=O)Cc2ccc(C(=O)N3CCC(C(N)=O)CC3)o2)cc1
InChIInChI=1S/C19H22N2O6S/c1-26-14-2-5-16(6-3-14)28(24,25)12-15-4-7-17(27-15)19(23)21-10-8-13(9-11-21)18(20)22/h2-7,13H,8-12H2,1H3,(H2,20,22)
InChIKeyINAZFMBXOUKMOG-UHFFFAOYSA-N
MW406.46 g/mol
LogP1.60
Rot. Bonds6

About 1-[5-[(4-methoxyphenyl)sulfonylmethyl]furan-2-carbonyl]piperidine-4-carboxamide

1-[5-[(4-methoxyphenyl)sulfonylmethyl]furan-2-carbonyl]piperidine-4-carboxamide (PubChem CID 3593873) has the molecular formula C19H22N2O6S and a molecular weight of 406.46 g/mol. Its IUPAC name is 1-[5-[(4-methoxyphenyl)sulfonylmethyl]furan-2-carbonyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[5-[(4-methoxyphenyl)sulfonylmethyl]furan-2-carbonyl]piperidine-4-carboxamide
PubChem CID3593873
Molecular FormulaC19H22N2O6S
Molecular Weight406.46 g/mol
Exact Mass406.12
IUPAC Name1-[5-[(4-methoxyphenyl)sulfonylmethyl]furan-2-carbonyl]piperidine-4-carboxamide
SMILESCOc1ccc(S(=O)(=O)Cc2ccc(C(=O)N3CCC(C(N)=O)CC3)o2)cc1
InChIInChI=1S/C19H22N2O6S/c1-26-14-2-5-16(6-3-14)28(24,25)12-15-4-7-17(27-15)19(23)21-10-8-13(9-11-21)18(20)22/h2-7,13H,8-12H2,1H3,(H2,20,22)
InChIKeyINAZFMBXOUKMOG-UHFFFAOYSA-N
XLogP1.60
TPSA119.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.46
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[5-[(4-methoxyphenyl)sulfonylmethyl]furan-2-carbonyl]piperidine-4-carboxamide?
The IUPAC name of 1-[5-[(4-methoxyphenyl)sulfonylmethyl]furan-2-carbonyl]piperidine-4-carboxamide (CID 3593873) is 1-[5-[(4-methoxyphenyl)sulfonylmethyl]furan-2-carbonyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[5-[(4-methoxyphenyl)sulfonylmethyl]furan-2-carbonyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[5-[(4-methoxyphenyl)sulfonylmethyl]furan-2-carbonyl]piperidine-4-carboxamide is COc1ccc(S(=O)(=O)Cc2ccc(C(=O)N3CCC(C(N)=O)CC3)o2)cc1.
What is the InChIKey of 1-[5-[(4-methoxyphenyl)sulfonylmethyl]furan-2-carbonyl]piperidine-4-carboxamide?
The InChIKey is INAZFMBXOUKMOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O6S/c1-26-14-2-5-16(6-3-14)28(24,25)12-15-4-7-17(27-15)19(23)21-10-8-13(9-11-21)18(20)22/h2-7,13H,8-12H2,1H3,(H2,20,22).
What are the key properties of 1-[5-[(4-methoxyphenyl)sulfonylmethyl]furan-2-carbonyl]piperidine-4-carboxamide?
1-[5-[(4-methoxyphenyl)sulfonylmethyl]furan-2-carbonyl]piperidine-4-carboxamide has a molecular weight of 406.46 g/mol, XLogP of 1.60, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(4-methoxyphenyl)sulfonylmethyl]furan-2-carbonyl]piperidine-4-carboxamide is sourced from PubChem (CID 3593873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).