N-methyl-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(1-thiophen-2-ylethyl)acetamide

C18H25N3O3S — CID 51268028

IUPACN-methyl-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(1-thiophen-2-ylethyl)acetamide
SMILESCC(c1cccs1)N(C)C(=O)CN1C(=O)NC2(CCCCC2C)C1=O
InChIInChI=1S/C18H25N3O3S/c1-12-7-4-5-9-18(12)16(23)21(17(24)19-18)11-15(22)20(3)13(2)14-8-6-10-25-14/h6,8,10,12-13H,4-5,7,9,11H2,1-3H3,(H,19,24)
InChIKeyPGWMDAUVZNQZND-UHFFFAOYSA-N
MW363.48 g/mol
LogP2.77
Rot. Bonds4

About N-methyl-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(1-thiophen-2-ylethyl)acetamide

N-methyl-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(1-thiophen-2-ylethyl)acetamide (PubChem CID 51268028) has the molecular formula C18H25N3O3S and a molecular weight of 363.48 g/mol. Its IUPAC name is N-methyl-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(1-thiophen-2-ylethyl)acetamide.

Molecular Properties

Compound NameN-methyl-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(1-thiophen-2-ylethyl)acetamide
PubChem CID51268028
Molecular FormulaC18H25N3O3S
Molecular Weight363.48 g/mol
Exact Mass363.16
IUPAC NameN-methyl-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(1-thiophen-2-ylethyl)acetamide
SMILESCC(c1cccs1)N(C)C(=O)CN1C(=O)NC2(CCCCC2C)C1=O
InChIInChI=1S/C18H25N3O3S/c1-12-7-4-5-9-18(12)16(23)21(17(24)19-18)11-15(22)20(3)13(2)14-8-6-10-25-14/h6,8,10,12-13H,4-5,7,9,11H2,1-3H3,(H,19,24)
InChIKeyPGWMDAUVZNQZND-UHFFFAOYSA-N
XLogP2.77
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.48
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-2-[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 40881449
2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N,N-di(propan-2-yl)acetamide
CID 17390675
N,N-dimethyl-2-[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 9208151
2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(3-methyl-1-thiophen-2-ylbutyl)acetamide
CID 55921450
N-(4-methoxyphenyl)-2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 25363216
2-[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-phenylethyl)-N-(thiophen-2-ylmethyl)acetamide
CID 40863649
[1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] 2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate
CID 55419795
2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetic acid
CID 2106917
2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N,N-dipropylacetamide
CID 78784211
N-methyl-N-(4-methylcyclohexyl)-2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 8521753
N-[(2-ethoxyphenyl)methyl]-N-methyl-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 55861144
2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-propan-2-ylacetamide
CID 7265087

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(1-thiophen-2-ylethyl)acetamide?
The IUPAC name of N-methyl-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(1-thiophen-2-ylethyl)acetamide (CID 51268028) is N-methyl-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(1-thiophen-2-ylethyl)acetamide.
What is the SMILES notation for N-methyl-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(1-thiophen-2-ylethyl)acetamide?
The canonical SMILES for N-methyl-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(1-thiophen-2-ylethyl)acetamide is CC(c1cccs1)N(C)C(=O)CN1C(=O)NC2(CCCCC2C)C1=O.
What is the InChIKey of N-methyl-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(1-thiophen-2-ylethyl)acetamide?
The InChIKey is PGWMDAUVZNQZND-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3S/c1-12-7-4-5-9-18(12)16(23)21(17(24)19-18)11-15(22)20(3)13(2)14-8-6-10-25-14/h6,8,10,12-13H,4-5,7,9,11H2,1-3H3,(H,19,24).
What are the key properties of N-methyl-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(1-thiophen-2-ylethyl)acetamide?
N-methyl-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(1-thiophen-2-ylethyl)acetamide has a molecular weight of 363.48 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(1-thiophen-2-ylethyl)acetamide is sourced from PubChem (CID 51268028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).