ethyl 4-carbamoyl-5-[[2-[(4-chlorobenzoyl)amino]acetyl]amino]-2-methylfuran-3-carboxylate

C18H18ClN3O6 — CID 108757037

IUPACethyl 4-carbamoyl-5-[[2-[(4-chlorobenzoyl)amino]acetyl]amino]-2-methylfuran-3-carboxylate
SMILESCCOC(=O)c1c(C)oc(NC(=O)CNC(=O)c2ccc(Cl)cc2)c1C(N)=O
InChIInChI=1S/C18H18ClN3O6/c1-3-27-18(26)13-9(2)28-17(14(13)15(20)24)22-12(23)8-21-16(25)10-4-6-11(19)7-5-10/h4-7H,3,8H2,1-2H3,(H2,20,24)(H,21,25)(H,22,23)
InChIKeyUQZRYIWDJNDHML-UHFFFAOYSA-N
MW407.81 g/mol
LogP1.89
Rot. Bonds7

About ethyl 4-carbamoyl-5-[[2-[(4-chlorobenzoyl)amino]acetyl]amino]-2-methylfuran-3-carboxylate

ethyl 4-carbamoyl-5-[[2-[(4-chlorobenzoyl)amino]acetyl]amino]-2-methylfuran-3-carboxylate (PubChem CID 108757037) has the molecular formula C18H18ClN3O6 and a molecular weight of 407.81 g/mol. Its IUPAC name is ethyl 4-carbamoyl-5-[[2-[(4-chlorobenzoyl)amino]acetyl]amino]-2-methylfuran-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-carbamoyl-5-[[2-[(4-chlorobenzoyl)amino]acetyl]amino]-2-methylfuran-3-carboxylate
PubChem CID108757037
Molecular FormulaC18H18ClN3O6
Molecular Weight407.81 g/mol
Exact Mass407.09
IUPAC Nameethyl 4-carbamoyl-5-[[2-[(4-chlorobenzoyl)amino]acetyl]amino]-2-methylfuran-3-carboxylate
SMILESCCOC(=O)c1c(C)oc(NC(=O)CNC(=O)c2ccc(Cl)cc2)c1C(N)=O
InChIInChI=1S/C18H18ClN3O6/c1-3-27-18(26)13-9(2)28-17(14(13)15(20)24)22-12(23)8-21-16(25)10-4-6-11(19)7-5-10/h4-7H,3,8H2,1-2H3,(H2,20,24)(H,21,25)(H,22,23)
InChIKeyUQZRYIWDJNDHML-UHFFFAOYSA-N
XLogP1.89
TPSA140.73 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.81
LogP ≤ 51.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze ethyl 4-carbamoyl-5-[[2-[(4-chlorobenzoyl)amino]acetyl]amino]-2-methylfuran-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

ethyl 4-carbamoyl-5-[[2-[(4-chlorophenyl)methylsulfanyl]acetyl]amino]-2-methylfuran-3-carboxylate
CID 8552683
ethyl 4-acetyl-2-[(2-benzamidoacetyl)amino]-5-methylfuran-3-carboxylate
CID 108763529
ethyl 4-carbamoyl-5-[2-(4-chlorophenoxy)propanoylamino]-2-methylfuran-3-carboxylate
CID 108757120
4-acetyl-2-[(4-chlorobenzoyl)amino]-5-methylfuran-3-carboxamide
CID 108763234
ethyl 4-carbamoyl-5-[[2-(2,6-difluorobenzoyl)oxyacetyl]amino]-2-methylfuran-3-carboxylate
CID 9203357
ethyl 4-carbamoyl-2-methyl-5-[(5-oxo-5-phenylpentanoyl)amino]furan-3-carboxylate
CID 108733760
ethyl 4-carbamoyl-2-methyl-5-[(2-phenoxyacetyl)amino]furan-3-carboxylate
CID 108733676
ethyl 4-carbamoyl-5-[[2-[(5-chlorothiophen-2-yl)methyl-methylamino]acetyl]amino]-2-methylfuran-3-carboxylate
CID 8787278
ethyl 4-carbamoyl-2-methyl-5-[[2-(2-methylbenzoyl)oxyacetyl]amino]furan-3-carboxylate
CID 9202543
ethyl 4-carbamoyl-5-[2-(2,4-dichlorophenoxy)propanoylamino]-2-methylfuran-3-carboxylate
CID 108733677
diethyl 2-acetamido-5-methylfuran-3,4-dicarboxylate
CID 108739453
ethyl 4-carbamoyl-2-methyl-5-(pyrazine-2-carbonylamino)furan-3-carboxylate
CID 108733786

Frequently Asked Questions

What is the IUPAC name of ethyl 4-carbamoyl-5-[[2-[(4-chlorobenzoyl)amino]acetyl]amino]-2-methylfuran-3-carboxylate?
The IUPAC name of ethyl 4-carbamoyl-5-[[2-[(4-chlorobenzoyl)amino]acetyl]amino]-2-methylfuran-3-carboxylate (CID 108757037) is ethyl 4-carbamoyl-5-[[2-[(4-chlorobenzoyl)amino]acetyl]amino]-2-methylfuran-3-carboxylate.
What is the SMILES notation for ethyl 4-carbamoyl-5-[[2-[(4-chlorobenzoyl)amino]acetyl]amino]-2-methylfuran-3-carboxylate?
The canonical SMILES for ethyl 4-carbamoyl-5-[[2-[(4-chlorobenzoyl)amino]acetyl]amino]-2-methylfuran-3-carboxylate is CCOC(=O)c1c(C)oc(NC(=O)CNC(=O)c2ccc(Cl)cc2)c1C(N)=O.
What is the InChIKey of ethyl 4-carbamoyl-5-[[2-[(4-chlorobenzoyl)amino]acetyl]amino]-2-methylfuran-3-carboxylate?
The InChIKey is UQZRYIWDJNDHML-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3O6/c1-3-27-18(26)13-9(2)28-17(14(13)15(20)24)22-12(23)8-21-16(25)10-4-6-11(19)7-5-10/h4-7H,3,8H2,1-2H3,(H2,20,24)(H,21,25)(H,22,23).
What are the key properties of ethyl 4-carbamoyl-5-[[2-[(4-chlorobenzoyl)amino]acetyl]amino]-2-methylfuran-3-carboxylate?
ethyl 4-carbamoyl-5-[[2-[(4-chlorobenzoyl)amino]acetyl]amino]-2-methylfuran-3-carboxylate has a molecular weight of 407.81 g/mol, XLogP of 1.89, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-carbamoyl-5-[[2-[(4-chlorobenzoyl)amino]acetyl]amino]-2-methylfuran-3-carboxylate is sourced from PubChem (CID 108757037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).