[5-[(2-methoxyphenyl)sulfonylmethyl]furan-2-yl]-morpholin-4-ylmethanone

C17H19NO6S — CID 5308528

IUPAC[5-[(2-methoxyphenyl)sulfonylmethyl]furan-2-yl]-morpholin-4-ylmethanone
SMILESCOc1ccccc1S(=O)(=O)Cc1ccc(C(=O)N2CCOCC2)o1
InChIInChI=1S/C17H19NO6S/c1-22-14-4-2-3-5-16(14)25(20,21)12-13-6-7-15(24-13)17(19)18-8-10-23-11-9-18/h2-7H,8-12H2,1H3
InChIKeySIDWQGKZYWNKDW-UHFFFAOYSA-N
MW365.41 g/mol
LogP1.73
Rot. Bonds5

About [5-[(2-methoxyphenyl)sulfonylmethyl]furan-2-yl]-morpholin-4-ylmethanone

[5-[(2-methoxyphenyl)sulfonylmethyl]furan-2-yl]-morpholin-4-ylmethanone (PubChem CID 5308528) has the molecular formula C17H19NO6S and a molecular weight of 365.41 g/mol. Its IUPAC name is [5-[(2-methoxyphenyl)sulfonylmethyl]furan-2-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[5-[(2-methoxyphenyl)sulfonylmethyl]furan-2-yl]-morpholin-4-ylmethanone
PubChem CID5308528
Molecular FormulaC17H19NO6S
Molecular Weight365.41 g/mol
Exact Mass365.09
IUPAC Name[5-[(2-methoxyphenyl)sulfonylmethyl]furan-2-yl]-morpholin-4-ylmethanone
SMILESCOc1ccccc1S(=O)(=O)Cc1ccc(C(=O)N2CCOCC2)o1
InChIInChI=1S/C17H19NO6S/c1-22-14-4-2-3-5-16(14)25(20,21)12-13-6-7-15(24-13)17(19)18-8-10-23-11-9-18/h2-7H,8-12H2,1H3
InChIKeySIDWQGKZYWNKDW-UHFFFAOYSA-N
XLogP1.73
TPSA86.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.41
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[5-[(2-methylphenyl)sulfonylmethyl]furan-2-yl]-pyrrolidin-1-ylmethanone
CID 20859632
N-benzyl-5-[(2-methoxyphenyl)sulfonylmethyl]furan-2-carboxamide
CID 20859695
[5-[(4-bromophenyl)sulfonylmethyl]furan-2-yl]-morpholin-4-ylmethanone
CID 5307553
N-[(2-methoxyphenyl)methyl]-5-[(2-methoxyphenyl)sulfonylmethyl]furan-2-carboxamide
CID 3242702
N-[(4-methoxyphenyl)methyl]-5-[(2-methoxyphenyl)sulfonylmethyl]furan-2-carboxamide
CID 5068893
[5-[(4-methoxyphenyl)sulfonylmethyl]furan-2-yl]-pyrrolidin-1-ylmethanone
CID 5307714
N-(1,3-benzodioxol-5-ylmethyl)-5-[(2-methoxyphenyl)sulfonylmethyl]furan-2-carboxamide
CID 5307755
azepan-1-yl-[5-(benzenesulfonylmethyl)furan-2-yl]methanone
CID 4790235
[5-[(2-methoxyphenoxy)methyl]furan-2-yl]-piperidin-1-ylmethanone
CID 1084341
N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-5-[(2-methoxyphenyl)sulfonylmethyl]furan-2-carboxamide
CID 20859714
[5-(benzenesulfonylmethyl)furan-2-yl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
CID 38573978
[5-(morpholine-4-carbonyl)furan-2-yl]-morpholin-4-ylmethanone
CID 165349427

Frequently Asked Questions

What is the IUPAC name of [5-[(2-methoxyphenyl)sulfonylmethyl]furan-2-yl]-morpholin-4-ylmethanone?
The IUPAC name of [5-[(2-methoxyphenyl)sulfonylmethyl]furan-2-yl]-morpholin-4-ylmethanone (CID 5308528) is [5-[(2-methoxyphenyl)sulfonylmethyl]furan-2-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [5-[(2-methoxyphenyl)sulfonylmethyl]furan-2-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [5-[(2-methoxyphenyl)sulfonylmethyl]furan-2-yl]-morpholin-4-ylmethanone is COc1ccccc1S(=O)(=O)Cc1ccc(C(=O)N2CCOCC2)o1.
What is the InChIKey of [5-[(2-methoxyphenyl)sulfonylmethyl]furan-2-yl]-morpholin-4-ylmethanone?
The InChIKey is SIDWQGKZYWNKDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO6S/c1-22-14-4-2-3-5-16(14)25(20,21)12-13-6-7-15(24-13)17(19)18-8-10-23-11-9-18/h2-7H,8-12H2,1H3.
What are the key properties of [5-[(2-methoxyphenyl)sulfonylmethyl]furan-2-yl]-morpholin-4-ylmethanone?
[5-[(2-methoxyphenyl)sulfonylmethyl]furan-2-yl]-morpholin-4-ylmethanone has a molecular weight of 365.41 g/mol, XLogP of 1.73, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(2-methoxyphenyl)sulfonylmethyl]furan-2-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 5308528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).