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

C20H22FN3O4S — CID 70687123

IUPAC(6R)-4-(benzenesulfonyl)-6-fluoro-N-phenyl-1-oxa-4,8-diazaspiro[4.5]decane-8-carboxamide
SMILESC1CN(C[C@H](C12N(CCO2)S(=O)(=O)C3=CC=CC=C3)F)C(=O)NC4=CC=CC=C4
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?/m1/s1
InChIKeyJSJWQXSSQJPVPR-QSVWIEALSA-N
MW419.50 g/mol
LogP2.10
Rot. Bonds3

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

(6R)-4-(benzenesulfonyl)-6-fluoro-N-phenyl-1-oxa-4,8-diazaspiro[4.5]decane-8-carboxamide (PubChem CID 70687123) has the molecular formula C20H22FN3O4S and a molecular weight of 419.50 g/mol. Its IUPAC name is (6R)-4-(benzenesulfonyl)-6-fluoro-N-phenyl-1-oxa-4,8-diazaspiro[4.5]decane-8-carboxamide.

Molecular Properties

Compound Name(6R)-4-(benzenesulfonyl)-6-fluoro-N-phenyl-1-oxa-4,8-diazaspiro[4.5]decane-8-carboxamide
PubChem CID70687123
Molecular FormulaC20H22FN3O4S
Molecular Weight419.50 g/mol
Exact Mass419.13
IUPAC Name(6R)-4-(benzenesulfonyl)-6-fluoro-N-phenyl-1-oxa-4,8-diazaspiro[4.5]decane-8-carboxamide
SMILESC1CN(C[C@H](C12N(CCO2)S(=O)(=O)C3=CC=CC=C3)F)C(=O)NC4=CC=CC=C4
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?/m1/s1
InChIKeyJSJWQXSSQJPVPR-QSVWIEALSA-N
XLogP2.10
TPSA87.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity688

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.50
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (6R)-4-(benzenesulfonyl)-6-fluoro-N-phenyl-1-oxa-4,8-diazaspiro[4.5]decane-8-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (6R)-4-(benzenesulfonyl)-6-fluoro-N-phenyl-1-oxa-4,8-diazaspiro[4.5]decane-8-carboxamide?
The IUPAC name of (6R)-4-(benzenesulfonyl)-6-fluoro-N-phenyl-1-oxa-4,8-diazaspiro[4.5]decane-8-carboxamide (CID 70687123) is (6R)-4-(benzenesulfonyl)-6-fluoro-N-phenyl-1-oxa-4,8-diazaspiro[4.5]decane-8-carboxamide.
What is the SMILES notation for (6R)-4-(benzenesulfonyl)-6-fluoro-N-phenyl-1-oxa-4,8-diazaspiro[4.5]decane-8-carboxamide?
The canonical SMILES for (6R)-4-(benzenesulfonyl)-6-fluoro-N-phenyl-1-oxa-4,8-diazaspiro[4.5]decane-8-carboxamide is C1CN(C[C@H](C12N(CCO2)S(=O)(=O)C3=CC=CC=C3)F)C(=O)NC4=CC=CC=C4.
What is the InChIKey of (6R)-4-(benzenesulfonyl)-6-fluoro-N-phenyl-1-oxa-4,8-diazaspiro[4.5]decane-8-carboxamide?
The InChIKey is JSJWQXSSQJPVPR-QSVWIEALSA-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?/m1/s1.
What are the key properties of (6R)-4-(benzenesulfonyl)-6-fluoro-N-phenyl-1-oxa-4,8-diazaspiro[4.5]decane-8-carboxamide?
(6R)-4-(benzenesulfonyl)-6-fluoro-N-phenyl-1-oxa-4,8-diazaspiro[4.5]decane-8-carboxamide has a molecular weight of 419.50 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-4-(benzenesulfonyl)-6-fluoro-N-phenyl-1-oxa-4,8-diazaspiro[4.5]decane-8-carboxamide is sourced from PubChem (CID 70687123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).