[2-[[5-carbamoyl-3-(2-methoxyethoxycarbonyl)-4-methylthiophen-2-yl]amino]-2-oxoethyl] 2,4,5-trimethylfuran-3-carboxylate

C20H24N2O8S — CID 24524160

IUPAC[2-[[5-carbamoyl-3-(2-methoxyethoxycarbonyl)-4-methylthiophen-2-yl]amino]-2-oxoethyl] 2,4,5-trimethylfuran-3-carboxylate
SMILESCOCCOC(=O)c1c(NC(=O)COC(=O)c2c(C)oc(C)c2C)sc(C(N)=O)c1C
InChIInChI=1S/C20H24N2O8S/c1-9-11(3)30-12(4)14(9)19(25)29-8-13(23)22-18-15(20(26)28-7-6-27-5)10(2)16(31-18)17(21)24/h6-8H2,1-5H3,(H2,21,24)(H,22,23)
InChIKeySHQFSQFZHXMGOZ-UHFFFAOYSA-N
MW452.49 g/mol
LogP2.27
Rot. Bonds9

About [2-[[5-carbamoyl-3-(2-methoxyethoxycarbonyl)-4-methylthiophen-2-yl]amino]-2-oxoethyl] 2,4,5-trimethylfuran-3-carboxylate

[2-[[5-carbamoyl-3-(2-methoxyethoxycarbonyl)-4-methylthiophen-2-yl]amino]-2-oxoethyl] 2,4,5-trimethylfuran-3-carboxylate (PubChem CID 24524160) has the molecular formula C20H24N2O8S and a molecular weight of 452.49 g/mol. Its IUPAC name is [2-[[5-carbamoyl-3-(2-methoxyethoxycarbonyl)-4-methylthiophen-2-yl]amino]-2-oxoethyl] 2,4,5-trimethylfuran-3-carboxylate.

Molecular Properties

Compound Name[2-[[5-carbamoyl-3-(2-methoxyethoxycarbonyl)-4-methylthiophen-2-yl]amino]-2-oxoethyl] 2,4,5-trimethylfuran-3-carboxylate
PubChem CID24524160
Molecular FormulaC20H24N2O8S
Molecular Weight452.49 g/mol
Exact Mass452.13
IUPAC Name[2-[[5-carbamoyl-3-(2-methoxyethoxycarbonyl)-4-methylthiophen-2-yl]amino]-2-oxoethyl] 2,4,5-trimethylfuran-3-carboxylate
SMILESCOCCOC(=O)c1c(NC(=O)COC(=O)c2c(C)oc(C)c2C)sc(C(N)=O)c1C
InChIInChI=1S/C20H24N2O8S/c1-9-11(3)30-12(4)14(9)19(25)29-8-13(23)22-18-15(20(26)28-7-6-27-5)10(2)16(31-18)17(21)24/h6-8H2,1-5H3,(H2,21,24)(H,22,23)
InChIKeySHQFSQFZHXMGOZ-UHFFFAOYSA-N
XLogP2.27
TPSA147.16 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.49
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

2-methoxyethyl 5-carbamoyl-2-[(2-chloroacetyl)amino]-4-methylthiophene-3-carboxylate
CID 2393517
2-methoxyethyl 5-carbamoyl-4-methyl-2-[[2-(2-phenoxyacetyl)oxyacetyl]amino]thiophene-3-carboxylate
CID 3425656
[2-[[5-carbamoyl-3-(2-methoxyethoxycarbonyl)-4-methylthiophen-2-yl]amino]-2-oxoethyl] 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate
CID 4004690
[2-[[5-carbamoyl-3-(2-methoxyethoxycarbonyl)-4-methylthiophen-2-yl]amino]-2-oxoethyl] 2,3-dihydro-1,4-benzodioxine-3-carboxylate
CID 4519897
2-methoxyethyl 2-[[2-[bis(prop-2-enyl)amino]acetyl]amino]-5-carbamoyl-4-methylthiophene-3-carboxylate
CID 4843645
2-methoxyethyl 2-[[2-[3-(1,3-benzodioxol-5-yl)prop-2-enoyloxy]acetyl]amino]-5-carbamoyl-4-methylthiophene-3-carboxylate
CID 3901588
[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2,4,5-trimethylfuran-3-carboxylate
CID 9453608
4-O-ethyl 2-O-(2-methoxyethyl) 3-methyl-5-(propanoylamino)thiophene-2,4-dicarboxylate
CID 28694170
2-methoxyethyl 5-carbamoyl-4-methyl-2-[[2-[2-(4-oxo-3H-phthalazin-1-yl)acetyl]oxyacetyl]amino]thiophene-3-carboxylate
CID 16519933
ethyl 5-carbamoyl-2-[[2-(2-methoxybenzoyl)oxyacetyl]amino]-4-methylthiophene-3-carboxylate
CID 2118287
ethyl 5-carbamoyl-4-methyl-2-[[2-[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]oxyacetyl]amino]thiophene-3-carboxylate
CID 2103607
4-O-ethyl 2-O-(2-methoxyethyl) 5-[[2-(2-methoxyphenoxy)acetyl]amino]-3-methylthiophene-2,4-dicarboxylate
CID 26218292

Frequently Asked Questions

What is the IUPAC name of [2-[[5-carbamoyl-3-(2-methoxyethoxycarbonyl)-4-methylthiophen-2-yl]amino]-2-oxoethyl] 2,4,5-trimethylfuran-3-carboxylate?
The IUPAC name of [2-[[5-carbamoyl-3-(2-methoxyethoxycarbonyl)-4-methylthiophen-2-yl]amino]-2-oxoethyl] 2,4,5-trimethylfuran-3-carboxylate (CID 24524160) is [2-[[5-carbamoyl-3-(2-methoxyethoxycarbonyl)-4-methylthiophen-2-yl]amino]-2-oxoethyl] 2,4,5-trimethylfuran-3-carboxylate.
What is the SMILES notation for [2-[[5-carbamoyl-3-(2-methoxyethoxycarbonyl)-4-methylthiophen-2-yl]amino]-2-oxoethyl] 2,4,5-trimethylfuran-3-carboxylate?
The canonical SMILES for [2-[[5-carbamoyl-3-(2-methoxyethoxycarbonyl)-4-methylthiophen-2-yl]amino]-2-oxoethyl] 2,4,5-trimethylfuran-3-carboxylate is COCCOC(=O)c1c(NC(=O)COC(=O)c2c(C)oc(C)c2C)sc(C(N)=O)c1C.
What is the InChIKey of [2-[[5-carbamoyl-3-(2-methoxyethoxycarbonyl)-4-methylthiophen-2-yl]amino]-2-oxoethyl] 2,4,5-trimethylfuran-3-carboxylate?
The InChIKey is SHQFSQFZHXMGOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O8S/c1-9-11(3)30-12(4)14(9)19(25)29-8-13(23)22-18-15(20(26)28-7-6-27-5)10(2)16(31-18)17(21)24/h6-8H2,1-5H3,(H2,21,24)(H,22,23).
What are the key properties of [2-[[5-carbamoyl-3-(2-methoxyethoxycarbonyl)-4-methylthiophen-2-yl]amino]-2-oxoethyl] 2,4,5-trimethylfuran-3-carboxylate?
[2-[[5-carbamoyl-3-(2-methoxyethoxycarbonyl)-4-methylthiophen-2-yl]amino]-2-oxoethyl] 2,4,5-trimethylfuran-3-carboxylate has a molecular weight of 452.49 g/mol, XLogP of 2.27, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[5-carbamoyl-3-(2-methoxyethoxycarbonyl)-4-methylthiophen-2-yl]amino]-2-oxoethyl] 2,4,5-trimethylfuran-3-carboxylate is sourced from PubChem (CID 24524160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).