2-(thiophene-2-carbonyl)-N-(thiophen-2-ylmethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide

C19H22N2O3S2 — CID 118739748

IUPAC2-(thiophene-2-carbonyl)-N-(thiophen-2-ylmethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
SMILESO=C(NCc1cccs1)C1CN(C(=O)c2cccs2)CC12CCOCC2
InChIInChI=1S/C19H22N2O3S2/c22-17(20-11-14-3-1-9-25-14)15-12-21(18(23)16-4-2-10-26-16)13-19(15)5-7-24-8-6-19/h1-4,9-10,15H,5-8,11-13H2,(H,20,22)
InChIKeyMKHYPPVMPQHSFS-UHFFFAOYSA-N
MW390.53 g/mol
LogP2.99
Rot. Bonds4

About 2-(thiophene-2-carbonyl)-N-(thiophen-2-ylmethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide

2-(thiophene-2-carbonyl)-N-(thiophen-2-ylmethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide (PubChem CID 118739748) has the molecular formula C19H22N2O3S2 and a molecular weight of 390.53 g/mol. Its IUPAC name is 2-(thiophene-2-carbonyl)-N-(thiophen-2-ylmethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide.

Molecular Properties

Compound Name2-(thiophene-2-carbonyl)-N-(thiophen-2-ylmethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
PubChem CID118739748
Molecular FormulaC19H22N2O3S2
Molecular Weight390.53 g/mol
Exact Mass390.11
IUPAC Name2-(thiophene-2-carbonyl)-N-(thiophen-2-ylmethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
SMILESO=C(NCc1cccs1)C1CN(C(=O)c2cccs2)CC12CCOCC2
InChIInChI=1S/C19H22N2O3S2/c22-17(20-11-14-3-1-9-25-14)15-12-21(18(23)16-4-2-10-26-16)13-19(15)5-7-24-8-6-19/h1-4,9-10,15H,5-8,11-13H2,(H,20,22)
InChIKeyMKHYPPVMPQHSFS-UHFFFAOYSA-N
XLogP2.99
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.53
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(thiophene-2-carbonyl)-N-(thiophen-2-ylmethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide?
The IUPAC name of 2-(thiophene-2-carbonyl)-N-(thiophen-2-ylmethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide (CID 118739748) is 2-(thiophene-2-carbonyl)-N-(thiophen-2-ylmethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide.
What is the SMILES notation for 2-(thiophene-2-carbonyl)-N-(thiophen-2-ylmethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide?
The canonical SMILES for 2-(thiophene-2-carbonyl)-N-(thiophen-2-ylmethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide is O=C(NCc1cccs1)C1CN(C(=O)c2cccs2)CC12CCOCC2.
What is the InChIKey of 2-(thiophene-2-carbonyl)-N-(thiophen-2-ylmethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide?
The InChIKey is MKHYPPVMPQHSFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3S2/c22-17(20-11-14-3-1-9-25-14)15-12-21(18(23)16-4-2-10-26-16)13-19(15)5-7-24-8-6-19/h1-4,9-10,15H,5-8,11-13H2,(H,20,22).
What are the key properties of 2-(thiophene-2-carbonyl)-N-(thiophen-2-ylmethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide?
2-(thiophene-2-carbonyl)-N-(thiophen-2-ylmethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide has a molecular weight of 390.53 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(thiophene-2-carbonyl)-N-(thiophen-2-ylmethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide is sourced from PubChem (CID 118739748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).