[4-(furan-2-carbonylamino)phenyl] thiophene-2-carboxylate

C16H11NO4S — CID 650822

IUPAC[4-(furan-2-carbonylamino)phenyl] thiophene-2-carboxylate
SMILESO=C(Nc1ccc(OC(=O)c2cccs2)cc1)c1ccco1
InChIInChI=1S/C16H11NO4S/c18-15(13-3-1-9-20-13)17-11-5-7-12(8-6-11)21-16(19)14-4-2-10-22-14/h1-10H,(H,17,18)
InChIKeyXTSBKIGNGWXKSI-UHFFFAOYSA-N
MW313.33 g/mol
LogP3.81
Rot. Bonds4

About [4-(furan-2-carbonylamino)phenyl] thiophene-2-carboxylate

[4-(furan-2-carbonylamino)phenyl] thiophene-2-carboxylate (PubChem CID 650822) has the molecular formula C16H11NO4S and a molecular weight of 313.33 g/mol. Its IUPAC name is [4-(furan-2-carbonylamino)phenyl] thiophene-2-carboxylate.

Molecular Properties

Compound Name[4-(furan-2-carbonylamino)phenyl] thiophene-2-carboxylate
PubChem CID650822
Molecular FormulaC16H11NO4S
Molecular Weight313.33 g/mol
Exact Mass313.04
IUPAC Name[4-(furan-2-carbonylamino)phenyl] thiophene-2-carboxylate
SMILESO=C(Nc1ccc(OC(=O)c2cccs2)cc1)c1ccco1
InChIInChI=1S/C16H11NO4S/c18-15(13-3-1-9-20-13)17-11-5-7-12(8-6-11)21-16(19)14-4-2-10-22-14/h1-10H,(H,17,18)
InChIKeyXTSBKIGNGWXKSI-UHFFFAOYSA-N
XLogP3.81
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.33
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(Acetylamino)phenyl 2-thiophenecarboxylate
CID 128894
N-[[4-(thiophene-2-carbonylamino)phenyl]carbamothioyl]furan-2-carboxamide
CID 1016196
N-{2-chloro-4-[(thiophen-2-ylcarbonyl)amino]phenyl}furan-2-carboxamide
CID 574029
N-[(1Z)-3-[(2-methoxyphenyl)amino]-3-oxo-1-(thiophen-2-yl)prop-1-en-2-yl]furan-2-carboxamide
CID 1591814
5-bromo-N-[3-(thiophene-2-carbonylamino)phenyl]furan-2-carboxamide
CID 1280173
N-(4-phenylthiophen-2-yl)furan-2-carboxamide
CID 699965
Methyl [4-(2-furoylamino)phenoxy]acetate
CID 892442
Propanoic acid [4-[[2-furanyl(oxo)methyl]amino]phenyl] ester
CID 1250934
N-[(1Z)-3-[(4-methoxyphenyl)amino]-3-oxo-1-(thiophen-2-yl)prop-1-en-2-yl]furan-2-carboxamide
CID 1597340
Methyl 3-[(5-methyl-2-furoyl)amino]-2-thiophenecarboxylate
CID 898058
5-nitro-N-{3-[(2-thienylcarbonyl)amino]phenyl}-2-furamide
CID 1164613
N-[2,5-dimethoxy-4-[[oxo(thiophen-2-yl)methyl]amino]phenyl]-2-furancarboxamide
CID 648371

Frequently Asked Questions

What is the IUPAC name of [4-(furan-2-carbonylamino)phenyl] thiophene-2-carboxylate?
The IUPAC name of [4-(furan-2-carbonylamino)phenyl] thiophene-2-carboxylate (CID 650822) is [4-(furan-2-carbonylamino)phenyl] thiophene-2-carboxylate.
What is the SMILES notation for [4-(furan-2-carbonylamino)phenyl] thiophene-2-carboxylate?
The canonical SMILES for [4-(furan-2-carbonylamino)phenyl] thiophene-2-carboxylate is O=C(Nc1ccc(OC(=O)c2cccs2)cc1)c1ccco1.
What is the InChIKey of [4-(furan-2-carbonylamino)phenyl] thiophene-2-carboxylate?
The InChIKey is XTSBKIGNGWXKSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11NO4S/c18-15(13-3-1-9-20-13)17-11-5-7-12(8-6-11)21-16(19)14-4-2-10-22-14/h1-10H,(H,17,18).
What are the key properties of [4-(furan-2-carbonylamino)phenyl] thiophene-2-carboxylate?
[4-(furan-2-carbonylamino)phenyl] thiophene-2-carboxylate has a molecular weight of 313.33 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(furan-2-carbonylamino)phenyl] thiophene-2-carboxylate is sourced from PubChem (CID 650822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).