(5R)-7-(3-fluorophenyl)sulfonyl-N-(furan-2-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide

C18H18FN3O5S — CID 97491608

IUPAC(5R)-7-(3-fluorophenyl)sulfonyl-N-(furan-2-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide
SMILESO=C(NCc1ccco1)C1=NO[C@]2(CCN(S(=O)(=O)c3cccc(F)c3)C2)C1
InChIInChI=1S/C18H18FN3O5S/c19-13-3-1-5-15(9-13)28(24,25)22-7-6-18(12-22)10-16(21-27-18)17(23)20-11-14-4-2-8-26-14/h1-5,8-9H,6-7,10-12H2,(H,20,23)/t18-/m1/s1
InChIKeyKYOALMMLVPNLJJ-GOSISDBHSA-N
MW407.42 g/mol
LogP1.64
Rot. Bonds5

About (5R)-7-(3-fluorophenyl)sulfonyl-N-(furan-2-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide

(5R)-7-(3-fluorophenyl)sulfonyl-N-(furan-2-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide (PubChem CID 97491608) has the molecular formula C18H18FN3O5S and a molecular weight of 407.42 g/mol. Its IUPAC name is (5R)-7-(3-fluorophenyl)sulfonyl-N-(furan-2-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide.

Molecular Properties

Compound Name(5R)-7-(3-fluorophenyl)sulfonyl-N-(furan-2-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide
PubChem CID97491608
Molecular FormulaC18H18FN3O5S
Molecular Weight407.42 g/mol
Exact Mass407.10
IUPAC Name(5R)-7-(3-fluorophenyl)sulfonyl-N-(furan-2-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide
SMILESO=C(NCc1ccco1)C1=NO[C@]2(CCN(S(=O)(=O)c3cccc(F)c3)C2)C1
InChIInChI=1S/C18H18FN3O5S/c19-13-3-1-5-15(9-13)28(24,25)22-7-6-18(12-22)10-16(21-27-18)17(23)20-11-14-4-2-8-26-14/h1-5,8-9H,6-7,10-12H2,(H,20,23)/t18-/m1/s1
InChIKeyKYOALMMLVPNLJJ-GOSISDBHSA-N
XLogP1.64
TPSA101.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.42
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(5S)-N-(furan-2-ylmethyl)-7-(2-pyrrolidin-1-ylethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide
CID 97491622
N-(furan-2-ylmethyl)-7-(2-methylpropanoyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide
CID 131639538
(5R)-7-[(4-chloro-3-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide
CID 97491611
(5R)-N-(furan-2-ylmethyl)-7-(pyridin-4-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide
CID 97491587
N-(furan-2-ylmethyl)-7-(pyridin-4-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide
CID 131655320
(5S)-N-(cyclopropylmethyl)-7-(4-fluorophenyl)sulfonyl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide
CID 97491251
(5R)-N-(furan-2-ylmethyl)-7-(pyridin-2-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide
CID 97491586
9-(3-methylphenyl)sulfonyl-N-(pyridin-4-ylmethyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide
CID 134079578
(5S)-N-[(4-fluorophenyl)methyl]-7-(4-methoxyphenyl)sulfonyl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide
CID 97491791
N-(furan-2-ylmethyl)-7-(oxane-4-carbonyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide
CID 131647013
(5R)-7-(4-ethylphenyl)sulfonyl-N-[(5-methylpyrazin-2-yl)methyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide
CID 97491692
7-(3-fluorophenyl)sulfonyl-N-(furan-2-ylmethyl)-9-oxa-3,7-diazabicyclo[3.3.1]nonane-3-carboxamide
CID 53164986

Frequently Asked Questions

What is the IUPAC name of (5R)-7-(3-fluorophenyl)sulfonyl-N-(furan-2-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide?
The IUPAC name of (5R)-7-(3-fluorophenyl)sulfonyl-N-(furan-2-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide (CID 97491608) is (5R)-7-(3-fluorophenyl)sulfonyl-N-(furan-2-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide.
What is the SMILES notation for (5R)-7-(3-fluorophenyl)sulfonyl-N-(furan-2-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide?
The canonical SMILES for (5R)-7-(3-fluorophenyl)sulfonyl-N-(furan-2-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide is O=C(NCc1ccco1)C1=NO[C@]2(CCN(S(=O)(=O)c3cccc(F)c3)C2)C1.
What is the InChIKey of (5R)-7-(3-fluorophenyl)sulfonyl-N-(furan-2-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide?
The InChIKey is KYOALMMLVPNLJJ-GOSISDBHSA-N. The full InChI is InChI=1S/C18H18FN3O5S/c19-13-3-1-5-15(9-13)28(24,25)22-7-6-18(12-22)10-16(21-27-18)17(23)20-11-14-4-2-8-26-14/h1-5,8-9H,6-7,10-12H2,(H,20,23)/t18-/m1/s1.
What are the key properties of (5R)-7-(3-fluorophenyl)sulfonyl-N-(furan-2-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide?
(5R)-7-(3-fluorophenyl)sulfonyl-N-(furan-2-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide has a molecular weight of 407.42 g/mol, XLogP of 1.64, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-7-(3-fluorophenyl)sulfonyl-N-(furan-2-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide is sourced from PubChem (CID 97491608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).