methyl 4,5-dimethyl-2-[[2-(2,4,5-trioxo-3-propylimidazolidin-1-yl)acetyl]amino]thiophene-3-carboxylate

C16H19N3O6S — CID 8626312

IUPACmethyl 4,5-dimethyl-2-[[2-(2,4,5-trioxo-3-propylimidazolidin-1-yl)acetyl]amino]thiophene-3-carboxylate
SMILESCCCN1C(=O)C(=O)N(CC(=O)Nc2sc(C)c(C)c2C(=O)OC)C1=O
InChIInChI=1S/C16H19N3O6S/c1-5-6-18-13(21)14(22)19(16(18)24)7-10(20)17-12-11(15(23)25-4)8(2)9(3)26-12/h5-7H2,1-4H3,(H,17,20)
InChIKeyUISUHOGZZLOODQ-UHFFFAOYSA-N
MW381.41 g/mol
LogP1.29
Rot. Bonds6

About methyl 4,5-dimethyl-2-[[2-(2,4,5-trioxo-3-propylimidazolidin-1-yl)acetyl]amino]thiophene-3-carboxylate

methyl 4,5-dimethyl-2-[[2-(2,4,5-trioxo-3-propylimidazolidin-1-yl)acetyl]amino]thiophene-3-carboxylate (PubChem CID 8626312) has the molecular formula C16H19N3O6S and a molecular weight of 381.41 g/mol. Its IUPAC name is methyl 4,5-dimethyl-2-[[2-(2,4,5-trioxo-3-propylimidazolidin-1-yl)acetyl]amino]thiophene-3-carboxylate.

Molecular Properties

Compound Namemethyl 4,5-dimethyl-2-[[2-(2,4,5-trioxo-3-propylimidazolidin-1-yl)acetyl]amino]thiophene-3-carboxylate
PubChem CID8626312
Molecular FormulaC16H19N3O6S
Molecular Weight381.41 g/mol
Exact Mass381.10
IUPAC Namemethyl 4,5-dimethyl-2-[[2-(2,4,5-trioxo-3-propylimidazolidin-1-yl)acetyl]amino]thiophene-3-carboxylate
SMILESCCCN1C(=O)C(=O)N(CC(=O)Nc2sc(C)c(C)c2C(=O)OC)C1=O
InChIInChI=1S/C16H19N3O6S/c1-5-6-18-13(21)14(22)19(16(18)24)7-10(20)17-12-11(15(23)25-4)8(2)9(3)26-12/h5-7H2,1-4H3,(H,17,20)
InChIKeyUISUHOGZZLOODQ-UHFFFAOYSA-N
XLogP1.29
TPSA113.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.41
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze methyl 4,5-dimethyl-2-[[2-(2,4,5-trioxo-3-propylimidazolidin-1-yl)acetyl]amino]thiophene-3-carboxylate 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

methyl 2-[[2-(azocan-1-yl)acetyl]amino]-4,5-dimethylthiophene-3-carboxylate
CID 2655336
methyl 4,5-dimethyl-2-[[2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetyl]amino]thiophene-3-carboxylate
CID 8708931
methyl 2-[(4-methoxy-4-oxobutanoyl)amino]-4,5-dimethylthiophene-3-carboxylate
CID 108808755
methyl 2-[[2-(2,6-dimethylmorpholin-4-yl)acetyl]amino]-4,5-dimethylthiophene-3-carboxylate
CID 6465207
methyl 2-[3-[3-[(3-methoxycarbonyl-4,5-dimethylthiophen-2-yl)amino]-3-oxopropyl]sulfanylpropanoylamino]-4,5-dimethylthiophene-3-carboxylate
CID 4244442
methyl 4,5-dimethyl-2-[[2-[(5-methyl-4-propyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]thiophene-3-carboxylate
CID 17371752
ethyl 4-ethyl-5-methyl-2-[[2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetyl]amino]thiophene-3-carboxylate
CID 7557987
methyl 2-[[2-[2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)acetyl]oxyacetyl]amino]-4,5-dimethylthiophene-3-carboxylate
CID 35962636
methyl 2-[[2-(3-aminopyrazol-1-yl)acetyl]amino]-4,5-dimethylthiophene-3-carboxylate
CID 62113370
ethyl 2-(heptanoylamino)-4,5-dimethylthiophene-3-carboxylate
CID 4688162
methyl 2-[[2-(2-methoxyacetyl)oxyacetyl]amino]-4,5-dimethylthiophene-3-carboxylate
CID 8018665
ethyl 2-[(4-methoxy-4-oxobutanoyl)amino]-4,5-dimethylthiophene-3-carboxylate
CID 829701

Frequently Asked Questions

What is the IUPAC name of methyl 4,5-dimethyl-2-[[2-(2,4,5-trioxo-3-propylimidazolidin-1-yl)acetyl]amino]thiophene-3-carboxylate?
The IUPAC name of methyl 4,5-dimethyl-2-[[2-(2,4,5-trioxo-3-propylimidazolidin-1-yl)acetyl]amino]thiophene-3-carboxylate (CID 8626312) is methyl 4,5-dimethyl-2-[[2-(2,4,5-trioxo-3-propylimidazolidin-1-yl)acetyl]amino]thiophene-3-carboxylate.
What is the SMILES notation for methyl 4,5-dimethyl-2-[[2-(2,4,5-trioxo-3-propylimidazolidin-1-yl)acetyl]amino]thiophene-3-carboxylate?
The canonical SMILES for methyl 4,5-dimethyl-2-[[2-(2,4,5-trioxo-3-propylimidazolidin-1-yl)acetyl]amino]thiophene-3-carboxylate is CCCN1C(=O)C(=O)N(CC(=O)Nc2sc(C)c(C)c2C(=O)OC)C1=O.
What is the InChIKey of methyl 4,5-dimethyl-2-[[2-(2,4,5-trioxo-3-propylimidazolidin-1-yl)acetyl]amino]thiophene-3-carboxylate?
The InChIKey is UISUHOGZZLOODQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O6S/c1-5-6-18-13(21)14(22)19(16(18)24)7-10(20)17-12-11(15(23)25-4)8(2)9(3)26-12/h5-7H2,1-4H3,(H,17,20).
What are the key properties of methyl 4,5-dimethyl-2-[[2-(2,4,5-trioxo-3-propylimidazolidin-1-yl)acetyl]amino]thiophene-3-carboxylate?
methyl 4,5-dimethyl-2-[[2-(2,4,5-trioxo-3-propylimidazolidin-1-yl)acetyl]amino]thiophene-3-carboxylate has a molecular weight of 381.41 g/mol, XLogP of 1.29, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4,5-dimethyl-2-[[2-(2,4,5-trioxo-3-propylimidazolidin-1-yl)acetyl]amino]thiophene-3-carboxylate is sourced from PubChem (CID 8626312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).