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

C19H20FN3O4S2 — CID 91444704

IUPACN-[(3-fluorophenyl)methyl]-8-thiophen-2-ylsulfonyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide
SMILESO=C(NCc1cccc(F)c1)C1=CC2(CCN(S(=O)(=O)c3cccs3)CC2)ON1
InChIInChI=1S/C19H20FN3O4S2/c20-15-4-1-3-14(11-15)13-21-18(24)16-12-19(27-22-16)6-8-23(9-7-19)29(25,26)17-5-2-10-28-17/h1-5,10-12,22H,6-9,13H2,(H,21,24)
InChIKeyGMZXZOJADCLMFT-UHFFFAOYSA-N
MW437.52 g/mol
LogP2.15
Rot. Bonds5

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

N-[(3-fluorophenyl)methyl]-8-thiophen-2-ylsulfonyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide (PubChem CID 91444704) has the molecular formula C19H20FN3O4S2 and a molecular weight of 437.52 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]-8-thiophen-2-ylsulfonyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methyl]-8-thiophen-2-ylsulfonyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide
PubChem CID91444704
Molecular FormulaC19H20FN3O4S2
Molecular Weight437.52 g/mol
Exact Mass437.09
IUPAC NameN-[(3-fluorophenyl)methyl]-8-thiophen-2-ylsulfonyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide
SMILESO=C(NCc1cccc(F)c1)C1=CC2(CCN(S(=O)(=O)c3cccs3)CC2)ON1
InChIInChI=1S/C19H20FN3O4S2/c20-15-4-1-3-14(11-15)13-21-18(24)16-12-19(27-22-16)6-8-23(9-7-19)29(25,26)17-5-2-10-28-17/h1-5,10-12,22H,6-9,13H2,(H,21,24)
InChIKeyGMZXZOJADCLMFT-UHFFFAOYSA-N
XLogP2.15
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.52
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)methyl]-8-thiophen-2-ylsulfonyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide?
The IUPAC name of N-[(3-fluorophenyl)methyl]-8-thiophen-2-ylsulfonyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide (CID 91444704) is N-[(3-fluorophenyl)methyl]-8-thiophen-2-ylsulfonyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide.
What is the SMILES notation for N-[(3-fluorophenyl)methyl]-8-thiophen-2-ylsulfonyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide?
The canonical SMILES for N-[(3-fluorophenyl)methyl]-8-thiophen-2-ylsulfonyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide is O=C(NCc1cccc(F)c1)C1=CC2(CCN(S(=O)(=O)c3cccs3)CC2)ON1.
What is the InChIKey of N-[(3-fluorophenyl)methyl]-8-thiophen-2-ylsulfonyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide?
The InChIKey is GMZXZOJADCLMFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O4S2/c20-15-4-1-3-14(11-15)13-21-18(24)16-12-19(27-22-16)6-8-23(9-7-19)29(25,26)17-5-2-10-28-17/h1-5,10-12,22H,6-9,13H2,(H,21,24).
What are the key properties of N-[(3-fluorophenyl)methyl]-8-thiophen-2-ylsulfonyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide?
N-[(3-fluorophenyl)methyl]-8-thiophen-2-ylsulfonyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide has a molecular weight of 437.52 g/mol, XLogP of 2.15, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)methyl]-8-thiophen-2-ylsulfonyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide is sourced from PubChem (CID 91444704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).