2-(4-methylphenoxy)ethyl 5-(furan-2-carbonylamino)thiophene-2-carboxylate

C19H17NO5S — CID 46512241

IUPAC2-(4-methylphenoxy)ethyl 5-(furan-2-carbonylamino)thiophene-2-carboxylate
SMILESCc1ccc(OCCOC(=O)c2ccc(NC(=O)c3ccco3)s2)cc1
InChIInChI=1S/C19H17NO5S/c1-13-4-6-14(7-5-13)23-11-12-25-19(22)16-8-9-17(26-16)20-18(21)15-3-2-10-24-15/h2-10H,11-12H2,1H3,(H,20,21)
InChIKeyKAEFPPXFUBRKMU-UHFFFAOYSA-N
MW371.41 g/mol
LogP4.14
Rot. Bonds7

About 2-(4-methylphenoxy)ethyl 5-(furan-2-carbonylamino)thiophene-2-carboxylate

2-(4-methylphenoxy)ethyl 5-(furan-2-carbonylamino)thiophene-2-carboxylate (PubChem CID 46512241) has the molecular formula C19H17NO5S and a molecular weight of 371.41 g/mol. Its IUPAC name is 2-(4-methylphenoxy)ethyl 5-(furan-2-carbonylamino)thiophene-2-carboxylate.

Molecular Properties

Compound Name2-(4-methylphenoxy)ethyl 5-(furan-2-carbonylamino)thiophene-2-carboxylate
PubChem CID46512241
Molecular FormulaC19H17NO5S
Molecular Weight371.41 g/mol
Exact Mass371.08
IUPAC Name2-(4-methylphenoxy)ethyl 5-(furan-2-carbonylamino)thiophene-2-carboxylate
SMILESCc1ccc(OCCOC(=O)c2ccc(NC(=O)c3ccco3)s2)cc1
InChIInChI=1S/C19H17NO5S/c1-13-4-6-14(7-5-13)23-11-12-25-19(22)16-8-9-17(26-16)20-18(21)15-3-2-10-24-15/h2-10H,11-12H2,1H3,(H,20,21)
InChIKeyKAEFPPXFUBRKMU-UHFFFAOYSA-N
XLogP4.14
TPSA77.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.41
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-(4-methylphenoxy)ethyl 5-(furan-2-carbonylamino)thiophene-2-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

[2-(2-methylpropylamino)-2-oxoethyl] 5-(furan-2-carbonylamino)thiophene-2-carboxylate
CID 18149801
[2-(3-methylbutylamino)-2-oxoethyl] 5-(furan-2-carbonylamino)thiophene-2-carboxylate
CID 18149797
2-(4-methylphenoxy)ethyl (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate
CID 8578888
[2-(4-methylanilino)-2-oxo-1-phenylethyl] 5-(furan-2-carbonylamino)thiophene-2-carboxylate
CID 55510708
2-[4-(dimethylsulfamoyl)phenoxy]ethyl 5-(furan-2-carbonylamino)-3-methylthiophene-2-carboxylate
CID 55490863
N-[5-(3-methoxypropylcarbamoyl)thiophen-2-yl]furan-2-carboxamide
CID 51330650
N-[5-(3-butoxypropylcarbamoyl)thiophen-2-yl]furan-2-carboxamide
CID 31303145
2-(4-methoxyphenoxy)ethyl 3-(furan-2-carbonylamino)-4-methylbenzoate
CID 4803837
[2-(4-methyl-3-nitroanilino)-2-oxoethyl] 5-(furan-2-carbonylamino)thiophene-2-carboxylate
CID 31218911
N-[5-[(2,5-dimethylphenyl)-ethylcarbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 55591959
[4-(pyrrolidine-1-carbonyl)phenyl]methyl 5-(furan-2-carbonylamino)thiophene-2-carboxylate
CID 31219375
methyl 2-[[5-(furan-2-carbonylamino)thiophene-2-carbonyl]amino]benzoate
CID 134024119

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenoxy)ethyl 5-(furan-2-carbonylamino)thiophene-2-carboxylate?
The IUPAC name of 2-(4-methylphenoxy)ethyl 5-(furan-2-carbonylamino)thiophene-2-carboxylate (CID 46512241) is 2-(4-methylphenoxy)ethyl 5-(furan-2-carbonylamino)thiophene-2-carboxylate.
What is the SMILES notation for 2-(4-methylphenoxy)ethyl 5-(furan-2-carbonylamino)thiophene-2-carboxylate?
The canonical SMILES for 2-(4-methylphenoxy)ethyl 5-(furan-2-carbonylamino)thiophene-2-carboxylate is Cc1ccc(OCCOC(=O)c2ccc(NC(=O)c3ccco3)s2)cc1.
What is the InChIKey of 2-(4-methylphenoxy)ethyl 5-(furan-2-carbonylamino)thiophene-2-carboxylate?
The InChIKey is KAEFPPXFUBRKMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO5S/c1-13-4-6-14(7-5-13)23-11-12-25-19(22)16-8-9-17(26-16)20-18(21)15-3-2-10-24-15/h2-10H,11-12H2,1H3,(H,20,21).
What are the key properties of 2-(4-methylphenoxy)ethyl 5-(furan-2-carbonylamino)thiophene-2-carboxylate?
2-(4-methylphenoxy)ethyl 5-(furan-2-carbonylamino)thiophene-2-carboxylate has a molecular weight of 371.41 g/mol, XLogP of 4.14, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenoxy)ethyl 5-(furan-2-carbonylamino)thiophene-2-carboxylate is sourced from PubChem (CID 46512241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).