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

C19H21N3O4S2 — CID 90827447

IUPACN-benzyl-8-thiophen-2-ylsulfonyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide
SMILESO=C(NCc1ccccc1)C1=CC2(CCN(S(=O)(=O)c3cccs3)CC2)ON1
InChIInChI=1S/C19H21N3O4S2/c23-18(20-14-15-5-2-1-3-6-15)16-13-19(26-21-16)8-10-22(11-9-19)28(24,25)17-7-4-12-27-17/h1-7,12-13,21H,8-11,14H2,(H,20,23)
InChIKeyIGRRLMBRZYLTEP-UHFFFAOYSA-N
MW419.53 g/mol
LogP2.01
Rot. Bonds5

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

N-benzyl-8-thiophen-2-ylsulfonyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide (PubChem CID 90827447) has the molecular formula C19H21N3O4S2 and a molecular weight of 419.53 g/mol. Its IUPAC name is N-benzyl-8-thiophen-2-ylsulfonyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-8-thiophen-2-ylsulfonyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide
PubChem CID90827447
Molecular FormulaC19H21N3O4S2
Molecular Weight419.53 g/mol
Exact Mass419.10
IUPAC NameN-benzyl-8-thiophen-2-ylsulfonyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide
SMILESO=C(NCc1ccccc1)C1=CC2(CCN(S(=O)(=O)c3cccs3)CC2)ON1
InChIInChI=1S/C19H21N3O4S2/c23-18(20-14-15-5-2-1-3-6-15)16-13-19(26-21-16)8-10-22(11-9-19)28(24,25)17-7-4-12-27-17/h1-7,12-13,21H,8-11,14H2,(H,20,23)
InChIKeyIGRRLMBRZYLTEP-UHFFFAOYSA-N
XLogP2.01
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.53
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-benzyl-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-benzyl-8-thiophen-2-ylsulfonyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide?
The IUPAC name of N-benzyl-8-thiophen-2-ylsulfonyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide (CID 90827447) is N-benzyl-8-thiophen-2-ylsulfonyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide.
What is the SMILES notation for N-benzyl-8-thiophen-2-ylsulfonyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide?
The canonical SMILES for N-benzyl-8-thiophen-2-ylsulfonyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide is O=C(NCc1ccccc1)C1=CC2(CCN(S(=O)(=O)c3cccs3)CC2)ON1.
What is the InChIKey of N-benzyl-8-thiophen-2-ylsulfonyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide?
The InChIKey is IGRRLMBRZYLTEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O4S2/c23-18(20-14-15-5-2-1-3-6-15)16-13-19(26-21-16)8-10-22(11-9-19)28(24,25)17-7-4-12-27-17/h1-7,12-13,21H,8-11,14H2,(H,20,23).
What are the key properties of N-benzyl-8-thiophen-2-ylsulfonyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide?
N-benzyl-8-thiophen-2-ylsulfonyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide has a molecular weight of 419.53 g/mol, XLogP of 2.01, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-8-thiophen-2-ylsulfonyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide is sourced from PubChem (CID 90827447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).