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

C20H23N3O4S2 — CID 90942889

IUPACN-(1-phenylethyl)-8-thiophen-2-ylsulfonyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide
SMILESCC(NC(=O)C1=CC2(CCN(S(=O)(=O)c3cccs3)CC2)ON1)c1ccccc1
InChIInChI=1S/C20H23N3O4S2/c1-15(16-6-3-2-4-7-16)21-19(24)17-14-20(27-22-17)9-11-23(12-10-20)29(25,26)18-8-5-13-28-18/h2-8,13-15,22H,9-12H2,1H3,(H,21,24)
InChIKeyXIVVOXYPAFPRLQ-UHFFFAOYSA-N
MW433.56 g/mol
LogP2.57
Rot. Bonds5

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

N-(1-phenylethyl)-8-thiophen-2-ylsulfonyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide (PubChem CID 90942889) has the molecular formula C20H23N3O4S2 and a molecular weight of 433.56 g/mol. Its IUPAC name is N-(1-phenylethyl)-8-thiophen-2-ylsulfonyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide.

Molecular Properties

Compound NameN-(1-phenylethyl)-8-thiophen-2-ylsulfonyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide
PubChem CID90942889
Molecular FormulaC20H23N3O4S2
Molecular Weight433.56 g/mol
Exact Mass433.11
IUPAC NameN-(1-phenylethyl)-8-thiophen-2-ylsulfonyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide
SMILESCC(NC(=O)C1=CC2(CCN(S(=O)(=O)c3cccs3)CC2)ON1)c1ccccc1
InChIInChI=1S/C20H23N3O4S2/c1-15(16-6-3-2-4-7-16)21-19(24)17-14-20(27-22-17)9-11-23(12-10-20)29(25,26)18-8-5-13-28-18/h2-8,13-15,22H,9-12H2,1H3,(H,21,24)
InChIKeyXIVVOXYPAFPRLQ-UHFFFAOYSA-N
XLogP2.57
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.56
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(1-phenylethyl)-8-thiophen-2-ylsulfonyl-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 N-(1-phenylethyl)-8-thiophen-2-ylsulfonyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide?
The IUPAC name of N-(1-phenylethyl)-8-thiophen-2-ylsulfonyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide (CID 90942889) is N-(1-phenylethyl)-8-thiophen-2-ylsulfonyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide.
What is the SMILES notation for N-(1-phenylethyl)-8-thiophen-2-ylsulfonyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide?
The canonical SMILES for N-(1-phenylethyl)-8-thiophen-2-ylsulfonyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide is CC(NC(=O)C1=CC2(CCN(S(=O)(=O)c3cccs3)CC2)ON1)c1ccccc1.
What is the InChIKey of N-(1-phenylethyl)-8-thiophen-2-ylsulfonyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide?
The InChIKey is XIVVOXYPAFPRLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O4S2/c1-15(16-6-3-2-4-7-16)21-19(24)17-14-20(27-22-17)9-11-23(12-10-20)29(25,26)18-8-5-13-28-18/h2-8,13-15,22H,9-12H2,1H3,(H,21,24).
What are the key properties of N-(1-phenylethyl)-8-thiophen-2-ylsulfonyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide?
N-(1-phenylethyl)-8-thiophen-2-ylsulfonyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide has a molecular weight of 433.56 g/mol, XLogP of 2.57, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenylethyl)-8-thiophen-2-ylsulfonyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide is sourced from PubChem (CID 90942889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).