ethyl 5-(dimethylcarbamoyl)-4-methyl-2-[[2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]thiophene-3-carboxylate

C22H30N4O6S — CID 24980742

IUPACethyl 5-(dimethylcarbamoyl)-4-methyl-2-[[2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]thiophene-3-carboxylate
SMILESCCOC(=O)c1c(NC(=O)CN2C(=O)NC3(CCCCC3C)C2=O)sc(C(=O)N(C)C)c1C
InChIInChI=1S/C22H30N4O6S/c1-6-32-19(29)15-13(3)16(18(28)25(4)5)33-17(15)23-14(27)11-26-20(30)22(24-21(26)31)10-8-7-9-12(22)2/h12H,6-11H2,1-5H3,(H,23,27)(H,24,31)
InChIKeyXQWBMIGJLAHWSO-UHFFFAOYSA-N
MW478.57 g/mol
LogP2.37
Rot. Bonds6

About ethyl 5-(dimethylcarbamoyl)-4-methyl-2-[[2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]thiophene-3-carboxylate

ethyl 5-(dimethylcarbamoyl)-4-methyl-2-[[2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]thiophene-3-carboxylate (PubChem CID 24980742) has the molecular formula C22H30N4O6S and a molecular weight of 478.57 g/mol. Its IUPAC name is ethyl 5-(dimethylcarbamoyl)-4-methyl-2-[[2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]thiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-(dimethylcarbamoyl)-4-methyl-2-[[2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]thiophene-3-carboxylate
PubChem CID24980742
Molecular FormulaC22H30N4O6S
Molecular Weight478.57 g/mol
Exact Mass478.19
IUPAC Nameethyl 5-(dimethylcarbamoyl)-4-methyl-2-[[2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]thiophene-3-carboxylate
SMILESCCOC(=O)c1c(NC(=O)CN2C(=O)NC3(CCCCC3C)C2=O)sc(C(=O)N(C)C)c1C
InChIInChI=1S/C22H30N4O6S/c1-6-32-19(29)15-13(3)16(18(28)25(4)5)33-17(15)23-14(27)11-26-20(30)22(24-21(26)31)10-8-7-9-12(22)2/h12H,6-11H2,1-5H3,(H,23,27)(H,24,31)
InChIKeyXQWBMIGJLAHWSO-UHFFFAOYSA-N
XLogP2.37
TPSA125.12 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.57
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze ethyl 5-(dimethylcarbamoyl)-4-methyl-2-[[2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]thiophene-3-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-(dimethylcarbamoyl)-4-methyl-2-[[2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]thiophene-3-carboxylate?
The IUPAC name of ethyl 5-(dimethylcarbamoyl)-4-methyl-2-[[2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]thiophene-3-carboxylate (CID 24980742) is ethyl 5-(dimethylcarbamoyl)-4-methyl-2-[[2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]thiophene-3-carboxylate.
What is the SMILES notation for ethyl 5-(dimethylcarbamoyl)-4-methyl-2-[[2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]thiophene-3-carboxylate?
The canonical SMILES for ethyl 5-(dimethylcarbamoyl)-4-methyl-2-[[2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]thiophene-3-carboxylate is CCOC(=O)c1c(NC(=O)CN2C(=O)NC3(CCCCC3C)C2=O)sc(C(=O)N(C)C)c1C.
What is the InChIKey of ethyl 5-(dimethylcarbamoyl)-4-methyl-2-[[2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]thiophene-3-carboxylate?
The InChIKey is XQWBMIGJLAHWSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O6S/c1-6-32-19(29)15-13(3)16(18(28)25(4)5)33-17(15)23-14(27)11-26-20(30)22(24-21(26)31)10-8-7-9-12(22)2/h12H,6-11H2,1-5H3,(H,23,27)(H,24,31).
What are the key properties of ethyl 5-(dimethylcarbamoyl)-4-methyl-2-[[2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]thiophene-3-carboxylate?
ethyl 5-(dimethylcarbamoyl)-4-methyl-2-[[2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]thiophene-3-carboxylate has a molecular weight of 478.57 g/mol, XLogP of 2.37, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(dimethylcarbamoyl)-4-methyl-2-[[2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]thiophene-3-carboxylate is sourced from PubChem (CID 24980742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).