8-benzylsulfonyl-N-(2-phenylethyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide

C23H27N3O4S — CID 91243084

IUPAC8-benzylsulfonyl-N-(2-phenylethyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide
SMILESO=C(NCCc1ccccc1)C1=CC2(CCN(S(=O)(=O)Cc3ccccc3)CC2)ON1
InChIInChI=1S/C23H27N3O4S/c27-22(24-14-11-19-7-3-1-4-8-19)21-17-23(30-25-21)12-15-26(16-13-23)31(28,29)18-20-9-5-2-6-10-20/h1-10,17,25H,11-16,18H2,(H,24,27)
InChIKeyHLBDYHSVSLQMIY-UHFFFAOYSA-N
MW441.55 g/mol
LogP2.13
Rot. Bonds7

About 8-benzylsulfonyl-N-(2-phenylethyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide

8-benzylsulfonyl-N-(2-phenylethyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide (PubChem CID 91243084) has the molecular formula C23H27N3O4S and a molecular weight of 441.55 g/mol. Its IUPAC name is 8-benzylsulfonyl-N-(2-phenylethyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide.

Molecular Properties

Compound Name8-benzylsulfonyl-N-(2-phenylethyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide
PubChem CID91243084
Molecular FormulaC23H27N3O4S
Molecular Weight441.55 g/mol
Exact Mass441.17
IUPAC Name8-benzylsulfonyl-N-(2-phenylethyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide
SMILESO=C(NCCc1ccccc1)C1=CC2(CCN(S(=O)(=O)Cc3ccccc3)CC2)ON1
InChIInChI=1S/C23H27N3O4S/c27-22(24-14-11-19-7-3-1-4-8-19)21-17-23(30-25-21)12-15-26(16-13-23)31(28,29)18-20-9-5-2-6-10-20/h1-10,17,25H,11-16,18H2,(H,24,27)
InChIKeyHLBDYHSVSLQMIY-UHFFFAOYSA-N
XLogP2.13
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.55
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-Benzyl-2-(6-methyl-2-oxo-3-phenylmethanesulfonylamino-2H-pyridin-1-yl)-acetamide
CID 44344067
[8-(4-Fluorophenyl)sulfonyl-1-oxa-2,8-diazaspiro[4.5]dec-3-en-3-yl]-[4-(3-phenylpropyl)piperazin-1-yl]methanone
CID 90852734
N-[(2-fluorophenyl)methyl]-8-(4-fluorophenyl)sulfonyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide
CID 91178972
N-[2-(dimethylamino)ethyl]-8-(5-fluoro-2-methylphenyl)sulfonyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide
CID 91197085
N-(2-acetamidoethyl)-8-(5-fluoro-2-methylphenyl)sulfonyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide
CID 91206587
N-(cyclopropylmethyl)-8-[3-(trifluoromethyl)phenyl]sulfonyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide
CID 91208149
8-(4-fluorophenyl)sulfonyl-N-[2-[3-(trifluoromethyl)phenyl]ethyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide
CID 91302575
8-(4-fluorophenyl)sulfonyl-N-(3-phenylpropyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide
CID 91410672
8-benzylsulfonyl-N-[2-(3-fluorophenyl)ethyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide
CID 91555377
(8-benzylsulfonyl-1-oxa-2,8-diazaspiro[4.5]dec-3-en-3-yl)-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 123137025
2-Butyl-5-phenyl-4-[(2-phenylethyl)amino]isothiazol-3(2H)-one 1,1-dioxide
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Frequently Asked Questions

What is the IUPAC name of 8-benzylsulfonyl-N-(2-phenylethyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide?
The IUPAC name of 8-benzylsulfonyl-N-(2-phenylethyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide (CID 91243084) is 8-benzylsulfonyl-N-(2-phenylethyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide.
What is the SMILES notation for 8-benzylsulfonyl-N-(2-phenylethyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide?
The canonical SMILES for 8-benzylsulfonyl-N-(2-phenylethyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide is O=C(NCCc1ccccc1)C1=CC2(CCN(S(=O)(=O)Cc3ccccc3)CC2)ON1.
What is the InChIKey of 8-benzylsulfonyl-N-(2-phenylethyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide?
The InChIKey is HLBDYHSVSLQMIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O4S/c27-22(24-14-11-19-7-3-1-4-8-19)21-17-23(30-25-21)12-15-26(16-13-23)31(28,29)18-20-9-5-2-6-10-20/h1-10,17,25H,11-16,18H2,(H,24,27).
What are the key properties of 8-benzylsulfonyl-N-(2-phenylethyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide?
8-benzylsulfonyl-N-(2-phenylethyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide has a molecular weight of 441.55 g/mol, XLogP of 2.13, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-benzylsulfonyl-N-(2-phenylethyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide is sourced from PubChem (CID 91243084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).