N-[2-[2-(1-benzofuran-2-carbonyl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]methanesulfonamide

C18H22N2O5S — CID 133139860

IUPACN-[2-[2-(1-benzofuran-2-carbonyl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCC1CCOC12CN(C(=O)c1cc3ccccc3o1)C2
InChIInChI=1S/C18H22N2O5S/c1-26(22,23)19-8-6-14-7-9-24-18(14)11-20(12-18)17(21)16-10-13-4-2-3-5-15(13)25-16/h2-5,10,14,19H,6-9,11-12H2,1H3
InChIKeyCFVUIDUDVGJEAW-UHFFFAOYSA-N
MW378.45 g/mol
LogP1.60
Rot. Bonds5

About N-[2-[2-(1-benzofuran-2-carbonyl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]methanesulfonamide

N-[2-[2-(1-benzofuran-2-carbonyl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]methanesulfonamide (PubChem CID 133139860) has the molecular formula C18H22N2O5S and a molecular weight of 378.45 g/mol. Its IUPAC name is N-[2-[2-(1-benzofuran-2-carbonyl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[2-(1-benzofuran-2-carbonyl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]methanesulfonamide
PubChem CID133139860
Molecular FormulaC18H22N2O5S
Molecular Weight378.45 g/mol
Exact Mass378.12
IUPAC NameN-[2-[2-(1-benzofuran-2-carbonyl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCC1CCOC12CN(C(=O)c1cc3ccccc3o1)C2
InChIInChI=1S/C18H22N2O5S/c1-26(22,23)19-8-6-14-7-9-24-18(14)11-20(12-18)17(21)16-10-13-4-2-3-5-15(13)25-16/h2-5,10,14,19H,6-9,11-12H2,1H3
InChIKeyCFVUIDUDVGJEAW-UHFFFAOYSA-N
XLogP1.60
TPSA88.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[2-(4-chlorobenzoyl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]methanesulfonamide
CID 133142384
N-[2-[2-(furan-3-carbonyl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]methanesulfonamide
CID 131655373
N-[2-[(8S)-2-(furan-3-carbonyl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]methanesulfonamide
CID 124783932
N-[2-[2-(furan-2-ylmethyl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]methanesulfonamide
CID 133140449
N-[2-[2-[(2-methoxyphenyl)methyl]-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]methanesulfonamide
CID 131662219
1-benzofuran-2-yl-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 63248546
1-benzofuran-2-yl-(4-chloro-3-methylpiperidin-1-yl)methanone
CID 114683163
1-benzofuran-2-yl-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]methanone
CID 79403971
[3-(aminomethyl)pyrrolidin-1-yl]-(1-benzofuran-2-yl)methanone
CID 62063378
N-[2-[2-(1H-indole-2-carbonyl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]-1-methylpyrrole-2-carboxamide
CID 131692093
1-benzofuran-2-yl-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 63263992
lithium;alumane;bis(N-[3-[3-(1-benzofuran-2-carbonyl)-6-methyl-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]methanesulfonamide);hydride
CID 158653504

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(1-benzofuran-2-carbonyl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]methanesulfonamide?
The IUPAC name of N-[2-[2-(1-benzofuran-2-carbonyl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]methanesulfonamide (CID 133139860) is N-[2-[2-(1-benzofuran-2-carbonyl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-[2-(1-benzofuran-2-carbonyl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]methanesulfonamide?
The canonical SMILES for N-[2-[2-(1-benzofuran-2-carbonyl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]methanesulfonamide is CS(=O)(=O)NCCC1CCOC12CN(C(=O)c1cc3ccccc3o1)C2.
What is the InChIKey of N-[2-[2-(1-benzofuran-2-carbonyl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]methanesulfonamide?
The InChIKey is CFVUIDUDVGJEAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O5S/c1-26(22,23)19-8-6-14-7-9-24-18(14)11-20(12-18)17(21)16-10-13-4-2-3-5-15(13)25-16/h2-5,10,14,19H,6-9,11-12H2,1H3.
What are the key properties of N-[2-[2-(1-benzofuran-2-carbonyl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]methanesulfonamide?
N-[2-[2-(1-benzofuran-2-carbonyl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]methanesulfonamide has a molecular weight of 378.45 g/mol, XLogP of 1.60, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(1-benzofuran-2-carbonyl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]methanesulfonamide is sourced from PubChem (CID 133139860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).