N-[(4-ethoxyphenyl)carbamothioyl]furan-2-carboxamide

C14H14N2O3S — CID 806449

IUPACN-[(4-ethoxyphenyl)carbamothioyl]furan-2-carboxamide
SMILESCCOc1ccc(NC(=S)NC(=O)c2ccco2)cc1
InChIInChI=1S/C14H14N2O3S/c1-2-18-11-7-5-10(6-8-11)15-14(20)16-13(17)12-4-3-9-19-12/h3-9H,2H2,1H3,(H2,15,16,17,20)
InChIKeyYXDXUULNGFDWNY-UHFFFAOYSA-N
MW290.34 g/mol
LogP2.81
Rot. Bonds4

About N-[(4-ethoxyphenyl)carbamothioyl]furan-2-carboxamide

N-[(4-ethoxyphenyl)carbamothioyl]furan-2-carboxamide (PubChem CID 806449) has the molecular formula C14H14N2O3S and a molecular weight of 290.34 g/mol. Its IUPAC name is N-[(4-ethoxyphenyl)carbamothioyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(4-ethoxyphenyl)carbamothioyl]furan-2-carboxamide
PubChem CID806449
Molecular FormulaC14H14N2O3S
Molecular Weight290.34 g/mol
Exact Mass290.07
IUPAC NameN-[(4-ethoxyphenyl)carbamothioyl]furan-2-carboxamide
SMILESCCOc1ccc(NC(=S)NC(=O)c2ccco2)cc1
InChIInChI=1S/C14H14N2O3S/c1-2-18-11-7-5-10(6-8-11)15-14(20)16-13(17)12-4-3-9-19-12/h3-9H,2H2,1H3,(H2,15,16,17,20)
InChIKeyYXDXUULNGFDWNY-UHFFFAOYSA-N
XLogP2.81
TPSA63.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 52.81
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-Phenyl-2-furancarboxamide
CID 220406
N-(3-fluorophenyl)furan-2-carboxamide
CID 306831
2-(2-Furoyl)-N-phenylhydrazinecarbothioamide
CID 736799
N-[4-(diethylamino)phenyl]-2-furancarboxamide
CID 675057
1-Furfuryl-3-phenyl-2-thiourea
CID 689750
4'-Methoxy-2-furanilide
CID 303388
N-(4-Fluorophenyl)-2-furamide
CID 531893
5-(2-Furanylmethyl)tetrahydro-1-phenyl-1,3,5-triazine-2(1H)-thione
CID 754478
N-[(2-oxochromen-6-yl)carbamothioyl]furan-2-carboxamide
CID 940607
N-(3-methoxyphenyl)furan-2-carboxamide
CID 669405
Furan-2-carboxylic acid [2,2,2-trichloro-1-(3-m-tolyl-thioureido)-ethyl]-amide
CID 3094957
N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamothioyl)furan-2-carboxamide
CID 734541

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethoxyphenyl)carbamothioyl]furan-2-carboxamide?
The IUPAC name of N-[(4-ethoxyphenyl)carbamothioyl]furan-2-carboxamide (CID 806449) is N-[(4-ethoxyphenyl)carbamothioyl]furan-2-carboxamide.
What is the SMILES notation for N-[(4-ethoxyphenyl)carbamothioyl]furan-2-carboxamide?
The canonical SMILES for N-[(4-ethoxyphenyl)carbamothioyl]furan-2-carboxamide is CCOc1ccc(NC(=S)NC(=O)c2ccco2)cc1.
What is the InChIKey of N-[(4-ethoxyphenyl)carbamothioyl]furan-2-carboxamide?
The InChIKey is YXDXUULNGFDWNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3S/c1-2-18-11-7-5-10(6-8-11)15-14(20)16-13(17)12-4-3-9-19-12/h3-9H,2H2,1H3,(H2,15,16,17,20).
What are the key properties of N-[(4-ethoxyphenyl)carbamothioyl]furan-2-carboxamide?
N-[(4-ethoxyphenyl)carbamothioyl]furan-2-carboxamide has a molecular weight of 290.34 g/mol, XLogP of 2.81, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethoxyphenyl)carbamothioyl]furan-2-carboxamide is sourced from PubChem (CID 806449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).