N-(3-cyano-5-ethylthiophen-2-yl)-2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide

C20H26N4O3S — CID 55906849

IUPACN-(3-cyano-5-ethylthiophen-2-yl)-2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
SMILESCCc1cc(C#N)c(NC(=O)CN2C(=O)NC3(CC(C)CC(C)(C)C3)C2=O)s1
InChIInChI=1S/C20H26N4O3S/c1-5-14-6-13(9-21)16(28-14)22-15(25)10-24-17(26)20(23-18(24)27)8-12(2)7-19(3,4)11-20/h6,12H,5,7-8,10-11H2,1-4H3,(H,22,25)(H,23,27)
InChIKeyHISLSZFIRFHKSB-UHFFFAOYSA-N
MW402.52 g/mol
LogP3.26
Rot. Bonds4

About N-(3-cyano-5-ethylthiophen-2-yl)-2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide

N-(3-cyano-5-ethylthiophen-2-yl)-2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide (PubChem CID 55906849) has the molecular formula C20H26N4O3S and a molecular weight of 402.52 g/mol. Its IUPAC name is N-(3-cyano-5-ethylthiophen-2-yl)-2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide.

Molecular Properties

Compound NameN-(3-cyano-5-ethylthiophen-2-yl)-2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
PubChem CID55906849
Molecular FormulaC20H26N4O3S
Molecular Weight402.52 g/mol
Exact Mass402.17
IUPAC NameN-(3-cyano-5-ethylthiophen-2-yl)-2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
SMILESCCc1cc(C#N)c(NC(=O)CN2C(=O)NC3(CC(C)CC(C)(C)C3)C2=O)s1
InChIInChI=1S/C20H26N4O3S/c1-5-14-6-13(9-21)16(28-14)22-15(25)10-24-17(26)20(23-18(24)27)8-12(2)7-19(3,4)11-20/h6,12H,5,7-8,10-11H2,1-4H3,(H,22,25)(H,23,27)
InChIKeyHISLSZFIRFHKSB-UHFFFAOYSA-N
XLogP3.26
TPSA102.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.52
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[(5S,9S)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 7718641
N-(3,5-dimethylphenyl)-2-[(5S,9S)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 7960983
N-(2-ethylphenyl)-2-[(5S,9R)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 7923789
N-(4-acetamidophenyl)-2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 18775895
N-(4-methylphenyl)-2-[(5S,9S)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 2486566
N-[3-cyano-4-(2,2,2-trifluoroethoxy)phenyl]-2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 46487376
N-pentan-3-yl-2-[(5S,9R)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 41012688
N-[4-(difluoromethoxy)phenyl]-2-[(5S,9R)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 2579576
N-cyclopropyl-2-[(5S,9R)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 25388631
methyl 4-[[2-[(5R,9R)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]benzoate
CID 7741274
N-(2,4-dimethoxyphenyl)-2-[(5R,9R)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 2579563
N-(2,4-dimethoxyphenyl)-2-[(5S,9R)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 2579558

Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-5-ethylthiophen-2-yl)-2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
The IUPAC name of N-(3-cyano-5-ethylthiophen-2-yl)-2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide (CID 55906849) is N-(3-cyano-5-ethylthiophen-2-yl)-2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide.
What is the SMILES notation for N-(3-cyano-5-ethylthiophen-2-yl)-2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
The canonical SMILES for N-(3-cyano-5-ethylthiophen-2-yl)-2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide is CCc1cc(C#N)c(NC(=O)CN2C(=O)NC3(CC(C)CC(C)(C)C3)C2=O)s1.
What is the InChIKey of N-(3-cyano-5-ethylthiophen-2-yl)-2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
The InChIKey is HISLSZFIRFHKSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O3S/c1-5-14-6-13(9-21)16(28-14)22-15(25)10-24-17(26)20(23-18(24)27)8-12(2)7-19(3,4)11-20/h6,12H,5,7-8,10-11H2,1-4H3,(H,22,25)(H,23,27).
What are the key properties of N-(3-cyano-5-ethylthiophen-2-yl)-2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
N-(3-cyano-5-ethylthiophen-2-yl)-2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide has a molecular weight of 402.52 g/mol, XLogP of 3.26, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-5-ethylthiophen-2-yl)-2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide is sourced from PubChem (CID 55906849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).