[5-[(2-methoxyphenyl)sulfonylmethyl]furan-2-yl]-pyrrolidin-1-ylmethanone

C17H19NO5S — CID 5308009

IUPAC[5-[(2-methoxyphenyl)sulfonylmethyl]furan-2-yl]-pyrrolidin-1-ylmethanone
SMILESCOc1ccccc1S(=O)(=O)Cc1ccc(C(=O)N2CCCC2)o1
InChIInChI=1S/C17H19NO5S/c1-22-14-6-2-3-7-16(14)24(20,21)12-13-8-9-15(23-13)17(19)18-10-4-5-11-18/h2-3,6-9H,4-5,10-12H2,1H3
InChIKeyKRDNUIAJCPHTIY-UHFFFAOYSA-N
MW349.41 g/mol
LogP2.50
Rot. Bonds5

About [5-[(2-methoxyphenyl)sulfonylmethyl]furan-2-yl]-pyrrolidin-1-ylmethanone

[5-[(2-methoxyphenyl)sulfonylmethyl]furan-2-yl]-pyrrolidin-1-ylmethanone (PubChem CID 5308009) has the molecular formula C17H19NO5S and a molecular weight of 349.41 g/mol. Its IUPAC name is [5-[(2-methoxyphenyl)sulfonylmethyl]furan-2-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[5-[(2-methoxyphenyl)sulfonylmethyl]furan-2-yl]-pyrrolidin-1-ylmethanone
PubChem CID5308009
Molecular FormulaC17H19NO5S
Molecular Weight349.41 g/mol
Exact Mass349.10
IUPAC Name[5-[(2-methoxyphenyl)sulfonylmethyl]furan-2-yl]-pyrrolidin-1-ylmethanone
SMILESCOc1ccccc1S(=O)(=O)Cc1ccc(C(=O)N2CCCC2)o1
InChIInChI=1S/C17H19NO5S/c1-22-14-6-2-3-7-16(14)24(20,21)12-13-8-9-15(23-13)17(19)18-10-4-5-11-18/h2-3,6-9H,4-5,10-12H2,1H3
InChIKeyKRDNUIAJCPHTIY-UHFFFAOYSA-N
XLogP2.50
TPSA76.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-[(2-methoxyphenyl)sulfonylmethyl]furan-2-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [5-[(2-methoxyphenyl)sulfonylmethyl]furan-2-yl]-pyrrolidin-1-ylmethanone (CID 5308009) is [5-[(2-methoxyphenyl)sulfonylmethyl]furan-2-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [5-[(2-methoxyphenyl)sulfonylmethyl]furan-2-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [5-[(2-methoxyphenyl)sulfonylmethyl]furan-2-yl]-pyrrolidin-1-ylmethanone is COc1ccccc1S(=O)(=O)Cc1ccc(C(=O)N2CCCC2)o1.
What is the InChIKey of [5-[(2-methoxyphenyl)sulfonylmethyl]furan-2-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is KRDNUIAJCPHTIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO5S/c1-22-14-6-2-3-7-16(14)24(20,21)12-13-8-9-15(23-13)17(19)18-10-4-5-11-18/h2-3,6-9H,4-5,10-12H2,1H3.
What are the key properties of [5-[(2-methoxyphenyl)sulfonylmethyl]furan-2-yl]-pyrrolidin-1-ylmethanone?
[5-[(2-methoxyphenyl)sulfonylmethyl]furan-2-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 349.41 g/mol, XLogP of 2.50, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(2-methoxyphenyl)sulfonylmethyl]furan-2-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 5308009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).