8-(5-fluoro-2-methylphenyl)sulfonyl-N-(thiophen-2-ylmethyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide

C20H22FN3O4S2 — CID 91514605

IUPAC8-(5-fluoro-2-methylphenyl)sulfonyl-N-(thiophen-2-ylmethyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide
SMILESCc1ccc(F)cc1S(=O)(=O)N1CCC2(C=C(C(=O)NCc3cccs3)NO2)CC1
InChIInChI=1S/C20H22FN3O4S2/c1-14-4-5-15(21)11-18(14)30(26,27)24-8-6-20(7-9-24)12-17(23-28-20)19(25)22-13-16-3-2-10-29-16/h2-5,10-12,23H,6-9,13H2,1H3,(H,22,25)
InChIKeyFYRUOKGAJCUGKN-UHFFFAOYSA-N
MW451.55 g/mol
LogP2.45
Rot. Bonds5

About 8-(5-fluoro-2-methylphenyl)sulfonyl-N-(thiophen-2-ylmethyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide

8-(5-fluoro-2-methylphenyl)sulfonyl-N-(thiophen-2-ylmethyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide (PubChem CID 91514605) has the molecular formula C20H22FN3O4S2 and a molecular weight of 451.55 g/mol. Its IUPAC name is 8-(5-fluoro-2-methylphenyl)sulfonyl-N-(thiophen-2-ylmethyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide.

Molecular Properties

Compound Name8-(5-fluoro-2-methylphenyl)sulfonyl-N-(thiophen-2-ylmethyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide
PubChem CID91514605
Molecular FormulaC20H22FN3O4S2
Molecular Weight451.55 g/mol
Exact Mass451.10
IUPAC Name8-(5-fluoro-2-methylphenyl)sulfonyl-N-(thiophen-2-ylmethyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide
SMILESCc1ccc(F)cc1S(=O)(=O)N1CCC2(C=C(C(=O)NCc3cccs3)NO2)CC1
InChIInChI=1S/C20H22FN3O4S2/c1-14-4-5-15(21)11-18(14)30(26,27)24-8-6-20(7-9-24)12-17(23-28-20)19(25)22-13-16-3-2-10-29-16/h2-5,10-12,23H,6-9,13H2,1H3,(H,22,25)
InChIKeyFYRUOKGAJCUGKN-UHFFFAOYSA-N
XLogP2.45
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.55
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 8-(5-fluoro-2-methylphenyl)sulfonyl-N-(thiophen-2-ylmethyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-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 8-(5-fluoro-2-methylphenyl)sulfonyl-N-(thiophen-2-ylmethyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide?
The IUPAC name of 8-(5-fluoro-2-methylphenyl)sulfonyl-N-(thiophen-2-ylmethyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide (CID 91514605) is 8-(5-fluoro-2-methylphenyl)sulfonyl-N-(thiophen-2-ylmethyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide.
What is the SMILES notation for 8-(5-fluoro-2-methylphenyl)sulfonyl-N-(thiophen-2-ylmethyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide?
The canonical SMILES for 8-(5-fluoro-2-methylphenyl)sulfonyl-N-(thiophen-2-ylmethyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide is Cc1ccc(F)cc1S(=O)(=O)N1CCC2(C=C(C(=O)NCc3cccs3)NO2)CC1.
What is the InChIKey of 8-(5-fluoro-2-methylphenyl)sulfonyl-N-(thiophen-2-ylmethyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide?
The InChIKey is FYRUOKGAJCUGKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN3O4S2/c1-14-4-5-15(21)11-18(14)30(26,27)24-8-6-20(7-9-24)12-17(23-28-20)19(25)22-13-16-3-2-10-29-16/h2-5,10-12,23H,6-9,13H2,1H3,(H,22,25).
What are the key properties of 8-(5-fluoro-2-methylphenyl)sulfonyl-N-(thiophen-2-ylmethyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide?
8-(5-fluoro-2-methylphenyl)sulfonyl-N-(thiophen-2-ylmethyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide has a molecular weight of 451.55 g/mol, XLogP of 2.45, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(5-fluoro-2-methylphenyl)sulfonyl-N-(thiophen-2-ylmethyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide is sourced from PubChem (CID 91514605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).