N-(furan-2-ylmethylcarbamothioyl)-1-benzofuran-2-carboxamide

C15H12N2O3S — CID 17100606

IUPACN-(furan-2-ylmethylcarbamothioyl)-1-benzofuran-2-carboxamide
SMILESO=C(NC(=S)NCc1ccco1)c1cc2ccccc2o1
InChIInChI=1S/C15H12N2O3S/c18-14(13-8-10-4-1-2-6-12(10)20-13)17-15(21)16-9-11-5-3-7-19-11/h1-8H,9H2,(H2,16,17,18,21)
InChIKeyQOVTYLPSJAPMBE-UHFFFAOYSA-N
MW300.34 g/mol
LogP2.83
Rot. Bonds3

About N-(furan-2-ylmethylcarbamothioyl)-1-benzofuran-2-carboxamide

N-(furan-2-ylmethylcarbamothioyl)-1-benzofuran-2-carboxamide (PubChem CID 17100606) has the molecular formula C15H12N2O3S and a molecular weight of 300.34 g/mol. Its IUPAC name is N-(furan-2-ylmethylcarbamothioyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethylcarbamothioyl)-1-benzofuran-2-carboxamide
PubChem CID17100606
Molecular FormulaC15H12N2O3S
Molecular Weight300.34 g/mol
Exact Mass300.06
IUPAC NameN-(furan-2-ylmethylcarbamothioyl)-1-benzofuran-2-carboxamide
SMILESO=C(NC(=S)NCc1ccco1)c1cc2ccccc2o1
InChIInChI=1S/C15H12N2O3S/c18-14(13-8-10-4-1-2-6-12(10)20-13)17-15(21)16-9-11-5-3-7-19-11/h1-8H,9H2,(H2,16,17,18,21)
InChIKeyQOVTYLPSJAPMBE-UHFFFAOYSA-N
XLogP2.83
TPSA67.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.34
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(furan-2-ylmethylcarbamothioyl)furan-2-carboxamide
CID 702076
[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 1-benzofuran-2-carboxylate
CID 7193785
N-(1-benzofuran-2-ylmethyl)-1-benzofuran-2-carboxamide
CID 86994462
N-[(2R)-3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-1-benzofuran-2-carboxamide
CID 99872573
N-[(2-hydroxyphenyl)carbamothioyl]-1-benzofuran-2-carboxamide
CID 822277
1-(1-benzofuran-2-yl)-3-(furan-2-yl)propan-1-one
CID 105131499
N-(3-morpholin-4-ium-4-ylpropylcarbamothioyl)-1-benzofuran-2-carboxamide
CID 7270325
N-[[4-(3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]methylcarbamothioyl]-1-benzofuran-2-carboxamide
CID 17103122
N-[[4-(acetylcarbamothioylamino)phenyl]carbamothioyl]-1-benzofuran-2-carboxamide
CID 3718880
N-[[5-(furan-2-carbonylamino)-2-methylphenyl]carbamothioyl]-1-benzofuran-2-carboxamide
CID 17098783
N-(furan-2-ylmethylcarbamothioyl)-2,2-dimethylpropanamide
CID 17100622
4-(1-benzofuran-2-carbonylcarbamothioylamino)-3,5-dichlorobenzoic acid
CID 50849978

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethylcarbamothioyl)-1-benzofuran-2-carboxamide?
The IUPAC name of N-(furan-2-ylmethylcarbamothioyl)-1-benzofuran-2-carboxamide (CID 17100606) is N-(furan-2-ylmethylcarbamothioyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethylcarbamothioyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(furan-2-ylmethylcarbamothioyl)-1-benzofuran-2-carboxamide is O=C(NC(=S)NCc1ccco1)c1cc2ccccc2o1.
What is the InChIKey of N-(furan-2-ylmethylcarbamothioyl)-1-benzofuran-2-carboxamide?
The InChIKey is QOVTYLPSJAPMBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O3S/c18-14(13-8-10-4-1-2-6-12(10)20-13)17-15(21)16-9-11-5-3-7-19-11/h1-8H,9H2,(H2,16,17,18,21).
What are the key properties of N-(furan-2-ylmethylcarbamothioyl)-1-benzofuran-2-carboxamide?
N-(furan-2-ylmethylcarbamothioyl)-1-benzofuran-2-carboxamide has a molecular weight of 300.34 g/mol, XLogP of 2.83, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethylcarbamothioyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 17100606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).