N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide

C18H24ClN3O3S — CID 8571722

IUPACN-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
SMILESCCN(Cc1ccc(Cl)s1)C(=O)CN1C(=O)N[C@]2(CCCC[C@@H]2C)C1=O
InChIInChI=1S/C18H24ClN3O3S/c1-3-21(10-13-7-8-14(19)26-13)15(23)11-22-16(24)18(20-17(22)25)9-5-4-6-12(18)2/h7-8,12H,3-6,9-11H2,1-2H3,(H,20,25)/t12-,18-/m0/s1
InChIKeyBIORWPXLXFPFID-SGTLLEGYSA-N
MW397.93 g/mol
LogP3.25
Rot. Bonds5

About N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide

N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide (PubChem CID 8571722) has the molecular formula C18H24ClN3O3S and a molecular weight of 397.93 g/mol. Its IUPAC name is N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide.

Molecular Properties

Compound NameN-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
PubChem CID8571722
Molecular FormulaC18H24ClN3O3S
Molecular Weight397.93 g/mol
Exact Mass397.12
IUPAC NameN-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
SMILESCCN(Cc1ccc(Cl)s1)C(=O)CN1C(=O)N[C@]2(CCCC[C@@H]2C)C1=O
InChIInChI=1S/C18H24ClN3O3S/c1-3-21(10-13-7-8-14(19)26-13)15(23)11-22-16(24)18(20-17(22)25)9-5-4-6-12(18)2/h7-8,12H,3-6,9-11H2,1-2H3,(H,20,25)/t12-,18-/m0/s1
InChIKeyBIORWPXLXFPFID-SGTLLEGYSA-N
XLogP3.25
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.93
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 51177344
N-[(5-chlorothiophen-2-yl)methyl]-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 46449000
N-ethyl-N-[(3-fluorophenyl)methyl]-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 51189981
2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N,N-dipropylacetamide
CID 78784211
N,N-dimethyl-2-[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 9208151
N-ethyl-N-(4-fluorophenyl)-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 51196058
N-ethyl-N-(4-fluorophenyl)-2-[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 7875413
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-[(3,4-dichlorophenyl)methyl]-N-methyl-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 78727003
N-[(3,4-dichlorophenyl)methyl]-N-methyl-2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 8571645
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

Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide?
The IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide (CID 8571722) is N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide.
What is the SMILES notation for N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide?
The canonical SMILES for N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide is CCN(Cc1ccc(Cl)s1)C(=O)CN1C(=O)N[C@]2(CCCC[C@@H]2C)C1=O.
What is the InChIKey of N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide?
The InChIKey is BIORWPXLXFPFID-SGTLLEGYSA-N. The full InChI is InChI=1S/C18H24ClN3O3S/c1-3-21(10-13-7-8-14(19)26-13)15(23)11-22-16(24)18(20-17(22)25)9-5-4-6-12(18)2/h7-8,12H,3-6,9-11H2,1-2H3,(H,20,25)/t12-,18-/m0/s1.
What are the key properties of N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide?
N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide has a molecular weight of 397.93 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide is sourced from PubChem (CID 8571722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).