ethyl 5-carbamoyl-4-methyl-2-[[5-(naphthalen-1-yloxymethyl)furan-2-carbonyl]amino]thiophene-3-carboxylate

C25H22N2O6S — CID 19412872

IUPACethyl 5-carbamoyl-4-methyl-2-[[5-(naphthalen-1-yloxymethyl)furan-2-carbonyl]amino]thiophene-3-carboxylate
SMILESCCOC(=O)c1c(NC(=O)c2ccc(COc3cccc4ccccc34)o2)sc(C(N)=O)c1C
InChIInChI=1S/C25H22N2O6S/c1-3-31-25(30)20-14(2)21(22(26)28)34-24(20)27-23(29)19-12-11-16(33-19)13-32-18-10-6-8-15-7-4-5-9-17(15)18/h4-12H,3,13H2,1-2H3,(H2,26,28)(H,27,29)
InChIKeyLWYRFCAPGHTMJK-UHFFFAOYSA-N
MW478.53 g/mol
LogP4.91
Rot. Bonds8

About ethyl 5-carbamoyl-4-methyl-2-[[5-(naphthalen-1-yloxymethyl)furan-2-carbonyl]amino]thiophene-3-carboxylate

ethyl 5-carbamoyl-4-methyl-2-[[5-(naphthalen-1-yloxymethyl)furan-2-carbonyl]amino]thiophene-3-carboxylate (PubChem CID 19412872) has the molecular formula C25H22N2O6S and a molecular weight of 478.53 g/mol. Its IUPAC name is ethyl 5-carbamoyl-4-methyl-2-[[5-(naphthalen-1-yloxymethyl)furan-2-carbonyl]amino]thiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-carbamoyl-4-methyl-2-[[5-(naphthalen-1-yloxymethyl)furan-2-carbonyl]amino]thiophene-3-carboxylate
PubChem CID19412872
Molecular FormulaC25H22N2O6S
Molecular Weight478.53 g/mol
Exact Mass478.12
IUPAC Nameethyl 5-carbamoyl-4-methyl-2-[[5-(naphthalen-1-yloxymethyl)furan-2-carbonyl]amino]thiophene-3-carboxylate
SMILESCCOC(=O)c1c(NC(=O)c2ccc(COc3cccc4ccccc34)o2)sc(C(N)=O)c1C
InChIInChI=1S/C25H22N2O6S/c1-3-31-25(30)20-14(2)21(22(26)28)34-24(20)27-23(29)19-12-11-16(33-19)13-32-18-10-6-8-15-7-4-5-9-17(15)18/h4-12H,3,13H2,1-2H3,(H2,26,28)(H,27,29)
InChIKeyLWYRFCAPGHTMJK-UHFFFAOYSA-N
XLogP4.91
TPSA120.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.53
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze ethyl 5-carbamoyl-4-methyl-2-[[5-(naphthalen-1-yloxymethyl)furan-2-carbonyl]amino]thiophene-3-carboxylate with MolForge

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Related Compounds

2-O-ethyl 4-O-methyl 3-methyl-5-[[5-(naphthalen-1-yloxymethyl)furan-2-carbonyl]amino]thiophene-2,4-dicarboxylate
CID 19412857
ethyl 5-carbamoyl-4-methyl-2-[[5-[(2-prop-2-enylphenoxy)methyl]furan-2-carbonyl]amino]thiophene-3-carboxylate
CID 19448786
ethyl 5-carbamoyl-2-[[5-[(2-chloro-6-methylphenoxy)methyl]furan-2-carbonyl]amino]-4-methylthiophene-3-carboxylate
CID 19459267
ethyl 5-carbamoyl-2-[[5-[(4-methoxycarbonylphenoxy)methyl]furan-2-carbonyl]amino]-4-methylthiophene-3-carboxylate
CID 19449002
propyl 5-carbamoyl-4-methyl-2-[[5-[(2-prop-2-enylphenoxy)methyl]furan-2-carbonyl]amino]thiophene-3-carboxylate
CID 19448780
dimethyl 5-[[5-[(2-methoxyphenoxy)methyl]furan-2-carbonyl]amino]-3-methylthiophene-2,4-dicarboxylate
CID 19467511
propan-2-yl 5-carbamoyl-2-[[5-[(2,6-dimethylphenoxy)methyl]furan-2-carbonyl]amino]-4-methylthiophene-3-carboxylate
CID 19446825
ethyl 5-acetyl-4-methyl-2-[[5-[(3-methylphenoxy)methyl]furan-2-carbonyl]amino]thiophene-3-carboxylate
CID 19465611
ethyl 5-acetyl-4-methyl-2-[[5-[(2,4,6-trichlorophenoxy)methyl]furan-2-carbonyl]amino]thiophene-3-carboxylate
CID 19415489
ethyl 5-acetyl-2-[[5-[(4-acetylphenoxy)methyl]furan-2-carbonyl]amino]-4-methylthiophene-3-carboxylate
CID 19455219
diethyl 3-methyl-5-[[5-[(4-propylphenoxy)methyl]furan-2-carbonyl]amino]thiophene-2,4-dicarboxylate
CID 19452868
2-O-ethyl 4-O-methyl 3-methyl-5-[[5-[(3-methylphenoxy)methyl]furan-2-carbonyl]amino]thiophene-2,4-dicarboxylate
CID 19465609

Frequently Asked Questions

What is the IUPAC name of ethyl 5-carbamoyl-4-methyl-2-[[5-(naphthalen-1-yloxymethyl)furan-2-carbonyl]amino]thiophene-3-carboxylate?
The IUPAC name of ethyl 5-carbamoyl-4-methyl-2-[[5-(naphthalen-1-yloxymethyl)furan-2-carbonyl]amino]thiophene-3-carboxylate (CID 19412872) is ethyl 5-carbamoyl-4-methyl-2-[[5-(naphthalen-1-yloxymethyl)furan-2-carbonyl]amino]thiophene-3-carboxylate.
What is the SMILES notation for ethyl 5-carbamoyl-4-methyl-2-[[5-(naphthalen-1-yloxymethyl)furan-2-carbonyl]amino]thiophene-3-carboxylate?
The canonical SMILES for ethyl 5-carbamoyl-4-methyl-2-[[5-(naphthalen-1-yloxymethyl)furan-2-carbonyl]amino]thiophene-3-carboxylate is CCOC(=O)c1c(NC(=O)c2ccc(COc3cccc4ccccc34)o2)sc(C(N)=O)c1C.
What is the InChIKey of ethyl 5-carbamoyl-4-methyl-2-[[5-(naphthalen-1-yloxymethyl)furan-2-carbonyl]amino]thiophene-3-carboxylate?
The InChIKey is LWYRFCAPGHTMJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N2O6S/c1-3-31-25(30)20-14(2)21(22(26)28)34-24(20)27-23(29)19-12-11-16(33-19)13-32-18-10-6-8-15-7-4-5-9-17(15)18/h4-12H,3,13H2,1-2H3,(H2,26,28)(H,27,29).
What are the key properties of ethyl 5-carbamoyl-4-methyl-2-[[5-(naphthalen-1-yloxymethyl)furan-2-carbonyl]amino]thiophene-3-carboxylate?
ethyl 5-carbamoyl-4-methyl-2-[[5-(naphthalen-1-yloxymethyl)furan-2-carbonyl]amino]thiophene-3-carboxylate has a molecular weight of 478.53 g/mol, XLogP of 4.91, 8 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-(naphthalen-1-yloxymethyl)furan-2-carbonyl]amino]thiophene-3-carboxylate is sourced from PubChem (CID 19412872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).