(6S)-4-(benzenesulfonyl)-6-fluoro-N-phenyl-1-oxa-4,8-diazaspiro[4.5]decane-8-carboxamide

C20H22FN3O4S — CID 70687129

IUPAC(6S)-4-(benzenesulfonyl)-6-fluoro-N-phenyl-1-oxa-4,8-diazaspiro[4.5]decane-8-carboxamide
SMILESO=C(Nc1ccccc1)N1CCC2(OCCN2S(=O)(=O)c2ccccc2)[C@@H](F)C1
InChIInChI=1S/C20H22FN3O4S/c21-18-15-23(19(25)22-16-7-3-1-4-8-16)12-11-20(18)24(13-14-28-20)29(26,27)17-9-5-2-6-10-17/h1-10,18H,11-15H2,(H,22,25)/t18-,20?/m0/s1
InChIKeyJSJWQXSSQJPVPR-LROBGIAVSA-N
MW419.48 g/mol
LogP2.68
Rot. Bonds3

About (6S)-4-(benzenesulfonyl)-6-fluoro-N-phenyl-1-oxa-4,8-diazaspiro[4.5]decane-8-carboxamide

(6S)-4-(benzenesulfonyl)-6-fluoro-N-phenyl-1-oxa-4,8-diazaspiro[4.5]decane-8-carboxamide (PubChem CID 70687129) has the molecular formula C20H22FN3O4S and a molecular weight of 419.48 g/mol. Its IUPAC name is (6S)-4-(benzenesulfonyl)-6-fluoro-N-phenyl-1-oxa-4,8-diazaspiro[4.5]decane-8-carboxamide.

Molecular Properties

Compound Name(6S)-4-(benzenesulfonyl)-6-fluoro-N-phenyl-1-oxa-4,8-diazaspiro[4.5]decane-8-carboxamide
PubChem CID70687129
Molecular FormulaC20H22FN3O4S
Molecular Weight419.48 g/mol
Exact Mass419.13
IUPAC Name(6S)-4-(benzenesulfonyl)-6-fluoro-N-phenyl-1-oxa-4,8-diazaspiro[4.5]decane-8-carboxamide
SMILESO=C(Nc1ccccc1)N1CCC2(OCCN2S(=O)(=O)c2ccccc2)[C@@H](F)C1
InChIInChI=1S/C20H22FN3O4S/c21-18-15-23(19(25)22-16-7-3-1-4-8-16)12-11-20(18)24(13-14-28-20)29(26,27)17-9-5-2-6-10-17/h1-10,18H,11-15H2,(H,22,25)/t18-,20?/m0/s1
InChIKeyJSJWQXSSQJPVPR-LROBGIAVSA-N
XLogP2.68
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.48
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (6S)-4-(benzenesulfonyl)-6-fluoro-N-phenyl-1-oxa-4,8-diazaspiro[4.5]decane-8-carboxamide?
The IUPAC name of (6S)-4-(benzenesulfonyl)-6-fluoro-N-phenyl-1-oxa-4,8-diazaspiro[4.5]decane-8-carboxamide (CID 70687129) is (6S)-4-(benzenesulfonyl)-6-fluoro-N-phenyl-1-oxa-4,8-diazaspiro[4.5]decane-8-carboxamide.
What is the SMILES notation for (6S)-4-(benzenesulfonyl)-6-fluoro-N-phenyl-1-oxa-4,8-diazaspiro[4.5]decane-8-carboxamide?
The canonical SMILES for (6S)-4-(benzenesulfonyl)-6-fluoro-N-phenyl-1-oxa-4,8-diazaspiro[4.5]decane-8-carboxamide is O=C(Nc1ccccc1)N1CCC2(OCCN2S(=O)(=O)c2ccccc2)[C@@H](F)C1.
What is the InChIKey of (6S)-4-(benzenesulfonyl)-6-fluoro-N-phenyl-1-oxa-4,8-diazaspiro[4.5]decane-8-carboxamide?
The InChIKey is JSJWQXSSQJPVPR-LROBGIAVSA-N. The full InChI is InChI=1S/C20H22FN3O4S/c21-18-15-23(19(25)22-16-7-3-1-4-8-16)12-11-20(18)24(13-14-28-20)29(26,27)17-9-5-2-6-10-17/h1-10,18H,11-15H2,(H,22,25)/t18-,20?/m0/s1.
What are the key properties of (6S)-4-(benzenesulfonyl)-6-fluoro-N-phenyl-1-oxa-4,8-diazaspiro[4.5]decane-8-carboxamide?
(6S)-4-(benzenesulfonyl)-6-fluoro-N-phenyl-1-oxa-4,8-diazaspiro[4.5]decane-8-carboxamide has a molecular weight of 419.48 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-4-(benzenesulfonyl)-6-fluoro-N-phenyl-1-oxa-4,8-diazaspiro[4.5]decane-8-carboxamide is sourced from PubChem (CID 70687129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).