2-(5-chlorothiophen-2-yl)-N-[(2,4-dioxo-1,3-diazaspiro[4.4]nonan-9-yl)methyl]propanamide

C15H18ClN3O3S — CID 136512911

IUPAC2-(5-chlorothiophen-2-yl)-N-[(2,4-dioxo-1,3-diazaspiro[4.4]nonan-9-yl)methyl]propanamide
SMILESCC(C(=O)NCC1CCCC12NC(=O)NC2=O)c1ccc(Cl)s1
InChIInChI=1S/C15H18ClN3O3S/c1-8(10-4-5-11(16)23-10)12(20)17-7-9-3-2-6-15(9)13(21)18-14(22)19-15/h4-5,8-9H,2-3,6-7H2,1H3,(H,17,20)(H2,18,19,21,22)
InChIKeyXEFIHYQPUZVCIV-UHFFFAOYSA-N
MW355.85 g/mol
LogP2.00
Rot. Bonds4

About 2-(5-chlorothiophen-2-yl)-N-[(2,4-dioxo-1,3-diazaspiro[4.4]nonan-9-yl)methyl]propanamide

2-(5-chlorothiophen-2-yl)-N-[(2,4-dioxo-1,3-diazaspiro[4.4]nonan-9-yl)methyl]propanamide (PubChem CID 136512911) has the molecular formula C15H18ClN3O3S and a molecular weight of 355.85 g/mol. Its IUPAC name is 2-(5-chlorothiophen-2-yl)-N-[(2,4-dioxo-1,3-diazaspiro[4.4]nonan-9-yl)methyl]propanamide.

Molecular Properties

Compound Name2-(5-chlorothiophen-2-yl)-N-[(2,4-dioxo-1,3-diazaspiro[4.4]nonan-9-yl)methyl]propanamide
PubChem CID136512911
Molecular FormulaC15H18ClN3O3S
Molecular Weight355.85 g/mol
Exact Mass355.08
IUPAC Name2-(5-chlorothiophen-2-yl)-N-[(2,4-dioxo-1,3-diazaspiro[4.4]nonan-9-yl)methyl]propanamide
SMILESCC(C(=O)NCC1CCCC12NC(=O)NC2=O)c1ccc(Cl)s1
InChIInChI=1S/C15H18ClN3O3S/c1-8(10-4-5-11(16)23-10)12(20)17-7-9-3-2-6-15(9)13(21)18-14(22)19-15/h4-5,8-9H,2-3,6-7H2,1H3,(H,17,20)(H2,18,19,21,22)
InChIKeyXEFIHYQPUZVCIV-UHFFFAOYSA-N
XLogP2.00
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.85
LogP ≤ 52.00
H-Bond Donors ≤ 53
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-(5-chlorothiophen-2-yl)-N-[(2,4-dioxo-1,3-diazaspiro[4.4]nonan-9-yl)methyl]propanamide?
The IUPAC name of 2-(5-chlorothiophen-2-yl)-N-[(2,4-dioxo-1,3-diazaspiro[4.4]nonan-9-yl)methyl]propanamide (CID 136512911) is 2-(5-chlorothiophen-2-yl)-N-[(2,4-dioxo-1,3-diazaspiro[4.4]nonan-9-yl)methyl]propanamide.
What is the SMILES notation for 2-(5-chlorothiophen-2-yl)-N-[(2,4-dioxo-1,3-diazaspiro[4.4]nonan-9-yl)methyl]propanamide?
The canonical SMILES for 2-(5-chlorothiophen-2-yl)-N-[(2,4-dioxo-1,3-diazaspiro[4.4]nonan-9-yl)methyl]propanamide is CC(C(=O)NCC1CCCC12NC(=O)NC2=O)c1ccc(Cl)s1.
What is the InChIKey of 2-(5-chlorothiophen-2-yl)-N-[(2,4-dioxo-1,3-diazaspiro[4.4]nonan-9-yl)methyl]propanamide?
The InChIKey is XEFIHYQPUZVCIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O3S/c1-8(10-4-5-11(16)23-10)12(20)17-7-9-3-2-6-15(9)13(21)18-14(22)19-15/h4-5,8-9H,2-3,6-7H2,1H3,(H,17,20)(H2,18,19,21,22).
What are the key properties of 2-(5-chlorothiophen-2-yl)-N-[(2,4-dioxo-1,3-diazaspiro[4.4]nonan-9-yl)methyl]propanamide?
2-(5-chlorothiophen-2-yl)-N-[(2,4-dioxo-1,3-diazaspiro[4.4]nonan-9-yl)methyl]propanamide has a molecular weight of 355.85 g/mol, XLogP of 2.00, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chlorothiophen-2-yl)-N-[(2,4-dioxo-1,3-diazaspiro[4.4]nonan-9-yl)methyl]propanamide is sourced from PubChem (CID 136512911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).