ethyl 5-carbamoyl-4-methyl-2-[[5-[(2-prop-2-enylphenoxy)methyl]furan-2-carbonyl]amino]thiophene-3-carboxylate

C24H24N2O6S — CID 19448786

IUPACethyl 5-carbamoyl-4-methyl-2-[[5-[(2-prop-2-enylphenoxy)methyl]furan-2-carbonyl]amino]thiophene-3-carboxylate
SMILESC=CCc1ccccc1OCc1ccc(C(=O)Nc2sc(C(N)=O)c(C)c2C(=O)OCC)o1
InChIInChI=1S/C24H24N2O6S/c1-4-8-15-9-6-7-10-17(15)31-13-16-11-12-18(32-16)22(28)26-23-19(24(29)30-5-2)14(3)20(33-23)21(25)27/h4,6-7,9-12H,1,5,8,13H2,2-3H3,(H2,25,27)(H,26,28)
InChIKeyCXSVDXNTEZFXNU-UHFFFAOYSA-N
MW468.53 g/mol
LogP4.48
Rot. Bonds10

About ethyl 5-carbamoyl-4-methyl-2-[[5-[(2-prop-2-enylphenoxy)methyl]furan-2-carbonyl]amino]thiophene-3-carboxylate

ethyl 5-carbamoyl-4-methyl-2-[[5-[(2-prop-2-enylphenoxy)methyl]furan-2-carbonyl]amino]thiophene-3-carboxylate (PubChem CID 19448786) has the molecular formula C24H24N2O6S and a molecular weight of 468.53 g/mol. Its IUPAC name is ethyl 5-carbamoyl-4-methyl-2-[[5-[(2-prop-2-enylphenoxy)methyl]furan-2-carbonyl]amino]thiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-carbamoyl-4-methyl-2-[[5-[(2-prop-2-enylphenoxy)methyl]furan-2-carbonyl]amino]thiophene-3-carboxylate
PubChem CID19448786
Molecular FormulaC24H24N2O6S
Molecular Weight468.53 g/mol
Exact Mass468.14
IUPAC Nameethyl 5-carbamoyl-4-methyl-2-[[5-[(2-prop-2-enylphenoxy)methyl]furan-2-carbonyl]amino]thiophene-3-carboxylate
SMILESC=CCc1ccccc1OCc1ccc(C(=O)Nc2sc(C(N)=O)c(C)c2C(=O)OCC)o1
InChIInChI=1S/C24H24N2O6S/c1-4-8-15-9-6-7-10-17(15)31-13-16-11-12-18(32-16)22(28)26-23-19(24(29)30-5-2)14(3)20(33-23)21(25)27/h4,6-7,9-12H,1,5,8,13H2,2-3H3,(H2,25,27)(H,26,28)
InChIKeyCXSVDXNTEZFXNU-UHFFFAOYSA-N
XLogP4.48
TPSA120.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.53
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze ethyl 5-carbamoyl-4-methyl-2-[[5-[(2-prop-2-enylphenoxy)methyl]furan-2-carbonyl]amino]thiophene-3-carboxylate with MolForge

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Related Compounds

propyl 5-carbamoyl-4-methyl-2-[[5-[(2-prop-2-enylphenoxy)methyl]furan-2-carbonyl]amino]thiophene-3-carboxylate
CID 19448780
propyl 5-(dimethylcarbamoyl)-4-methyl-2-[[5-[(2-prop-2-enylphenoxy)methyl]furan-2-carbonyl]amino]thiophene-3-carboxylate
CID 19448783
ethyl 5-carbamoyl-4-methyl-2-[[5-(naphthalen-1-yloxymethyl)furan-2-carbonyl]amino]thiophene-3-carboxylate
CID 19412872
ethyl 5-carbamoyl-2-[[5-[(4-methoxycarbonylphenoxy)methyl]furan-2-carbonyl]amino]-4-methylthiophene-3-carboxylate
CID 19449002
ethyl 5-carbamoyl-2-[[5-[(2-chloro-6-methylphenoxy)methyl]furan-2-carbonyl]amino]-4-methylthiophene-3-carboxylate
CID 19459267
2-O-ethyl 4-O-methyl 3-methyl-5-[[5-(naphthalen-1-yloxymethyl)furan-2-carbonyl]amino]thiophene-2,4-dicarboxylate
CID 19412857
dimethyl 5-[[5-[(2-methoxyphenoxy)methyl]furan-2-carbonyl]amino]-3-methylthiophene-2,4-dicarboxylate
CID 19467511
N-phenyl-5-[(2-prop-2-enylphenoxy)methyl]furan-2-carboxamide
CID 19448799
ethyl 5-acetyl-4-methyl-2-[[5-[(3-methylphenoxy)methyl]furan-2-carbonyl]amino]thiophene-3-carboxylate
CID 19465611
diethyl 3-methyl-5-[[5-[(4-propylphenoxy)methyl]furan-2-carbonyl]amino]thiophene-2,4-dicarboxylate
CID 19452868
ethyl 5-acetyl-2-[[5-[(4-acetylphenoxy)methyl]furan-2-carbonyl]amino]-4-methylthiophene-3-carboxylate
CID 19455219
propan-2-yl 5-carbamoyl-2-[[5-[(2,6-dimethylphenoxy)methyl]furan-2-carbonyl]amino]-4-methylthiophene-3-carboxylate
CID 19446825

Frequently Asked Questions

What is the IUPAC name of ethyl 5-carbamoyl-4-methyl-2-[[5-[(2-prop-2-enylphenoxy)methyl]furan-2-carbonyl]amino]thiophene-3-carboxylate?
The IUPAC name of ethyl 5-carbamoyl-4-methyl-2-[[5-[(2-prop-2-enylphenoxy)methyl]furan-2-carbonyl]amino]thiophene-3-carboxylate (CID 19448786) is ethyl 5-carbamoyl-4-methyl-2-[[5-[(2-prop-2-enylphenoxy)methyl]furan-2-carbonyl]amino]thiophene-3-carboxylate.
What is the SMILES notation for ethyl 5-carbamoyl-4-methyl-2-[[5-[(2-prop-2-enylphenoxy)methyl]furan-2-carbonyl]amino]thiophene-3-carboxylate?
The canonical SMILES for ethyl 5-carbamoyl-4-methyl-2-[[5-[(2-prop-2-enylphenoxy)methyl]furan-2-carbonyl]amino]thiophene-3-carboxylate is C=CCc1ccccc1OCc1ccc(C(=O)Nc2sc(C(N)=O)c(C)c2C(=O)OCC)o1.
What is the InChIKey of ethyl 5-carbamoyl-4-methyl-2-[[5-[(2-prop-2-enylphenoxy)methyl]furan-2-carbonyl]amino]thiophene-3-carboxylate?
The InChIKey is CXSVDXNTEZFXNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O6S/c1-4-8-15-9-6-7-10-17(15)31-13-16-11-12-18(32-16)22(28)26-23-19(24(29)30-5-2)14(3)20(33-23)21(25)27/h4,6-7,9-12H,1,5,8,13H2,2-3H3,(H2,25,27)(H,26,28).
What are the key properties of ethyl 5-carbamoyl-4-methyl-2-[[5-[(2-prop-2-enylphenoxy)methyl]furan-2-carbonyl]amino]thiophene-3-carboxylate?
ethyl 5-carbamoyl-4-methyl-2-[[5-[(2-prop-2-enylphenoxy)methyl]furan-2-carbonyl]amino]thiophene-3-carboxylate has a molecular weight of 468.53 g/mol, XLogP of 4.48, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-carbamoyl-4-methyl-2-[[5-[(2-prop-2-enylphenoxy)methyl]furan-2-carbonyl]amino]thiophene-3-carboxylate is sourced from PubChem (CID 19448786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).