2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)-N-(thiophen-2-ylmethyl)acetamide

C17H23N3O3S — CID 2551998

IUPAC2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)-N-(thiophen-2-ylmethyl)acetamide
SMILESO=C(CN1C(=O)NC2(CCCCCCC2)C1=O)NCc1cccs1
InChIInChI=1S/C17H23N3O3S/c21-14(18-11-13-7-6-10-24-13)12-20-15(22)17(19-16(20)23)8-4-2-1-3-5-9-17/h6-7,10H,1-5,8-9,11-12H2,(H,18,21)(H,19,23)
InChIKeyWIHWOHFNYIJEFH-UHFFFAOYSA-N
MW349.46 g/mol
LogP2.40
Rot. Bonds4

About 2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)-N-(thiophen-2-ylmethyl)acetamide

2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 2551998) has the molecular formula C17H23N3O3S and a molecular weight of 349.46 g/mol. Its IUPAC name is 2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)-N-(thiophen-2-ylmethyl)acetamide
PubChem CID2551998
Molecular FormulaC17H23N3O3S
Molecular Weight349.46 g/mol
Exact Mass349.15
IUPAC Name2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)-N-(thiophen-2-ylmethyl)acetamide
SMILESO=C(CN1C(=O)NC2(CCCCCCC2)C1=O)NCc1cccs1
InChIInChI=1S/C17H23N3O3S/c21-14(18-11-13-7-6-10-24-13)12-20-15(22)17(19-16(20)23)8-4-2-1-3-5-9-17/h6-7,10H,1-5,8-9,11-12H2,(H,18,21)(H,19,23)
InChIKeyWIHWOHFNYIJEFH-UHFFFAOYSA-N
XLogP2.40
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)-N-(thiophen-2-ylmethyl)acetamide (CID 2551998) is 2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)-N-(thiophen-2-ylmethyl)acetamide is O=C(CN1C(=O)NC2(CCCCCCC2)C1=O)NCc1cccs1.
What is the InChIKey of 2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is WIHWOHFNYIJEFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3S/c21-14(18-11-13-7-6-10-24-13)12-20-15(22)17(19-16(20)23)8-4-2-1-3-5-9-17/h6-7,10H,1-5,8-9,11-12H2,(H,18,21)(H,19,23).
What are the key properties of 2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)-N-(thiophen-2-ylmethyl)acetamide?
2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 349.46 g/mol, XLogP of 2.40, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 2551998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).