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

C14H14N2O3S — CID 1226907

IUPACN-[(2-ethoxyphenyl)carbamothioyl]furan-2-carboxamide
SMILESCCOc1ccccc1NC(=S)NC(=O)c1ccco1
InChIInChI=1S/C14H14N2O3S/c1-2-18-11-7-4-3-6-10(11)15-14(20)16-13(17)12-8-5-9-19-12/h3-9H,2H2,1H3,(H2,15,16,17,20)
InChIKeyRWXWZDVNLVKSTB-UHFFFAOYSA-N
MW290.34 g/mol
LogP2.81
Rot. Bonds4

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

N-[(2-ethoxyphenyl)carbamothioyl]furan-2-carboxamide (PubChem CID 1226907) has the molecular formula C14H14N2O3S and a molecular weight of 290.34 g/mol. Its IUPAC name is N-[(2-ethoxyphenyl)carbamothioyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(2-ethoxyphenyl)carbamothioyl]furan-2-carboxamide
PubChem CID1226907
Molecular FormulaC14H14N2O3S
Molecular Weight290.34 g/mol
Exact Mass290.07
IUPAC NameN-[(2-ethoxyphenyl)carbamothioyl]furan-2-carboxamide
SMILESCCOc1ccccc1NC(=S)NC(=O)c1ccco1
InChIInChI=1S/C14H14N2O3S/c1-2-18-11-7-4-3-6-10(11)15-14(20)16-13(17)12-8-5-9-19-12/h3-9H,2H2,1H3,(H2,15,16,17,20)
InChIKeyRWXWZDVNLVKSTB-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-[(2-ethoxyphenyl)carbamothioyl]-4-methylbenzamide
CID 1226913
N-[(2S)-1-(2-ethoxyanilino)-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 7611492
N-[(2-iodophenyl)carbamothioyl]furan-2-carboxamide
CID 1125144
N-[(2-ethoxyphenyl)carbamothioyl]-4-methoxybenzamide
CID 1226908
1-(2-ethoxyphenyl)-3-[3-(furan-2-yl)propyl]thiourea
CID 100756038
N-[(2-carbamoylphenyl)carbamothioyl]furan-2-carboxamide
CID 801553
[2-(2-ethoxyanilino)-2-oxoethyl] 2-(furan-2-carbonylamino)acetate
CID 7880201
2,4-dichloro-N-[(2-ethoxyphenyl)carbamothioyl]benzamide
CID 1226903
N-[(2-ethoxyphenyl)carbamothioyl]-3-fluorobenzamide
CID 17099525
3,4,5-triethoxy-N-[(2-methoxyphenyl)carbamothioyl]benzamide
CID 1048249
2-(4-chlorophenyl)-N-[(2-ethoxyphenyl)carbamothioyl]acetamide
CID 889519
2-ethoxy-N-[[2-(2-phenoxyethoxy)phenyl]carbamothioyl]benzamide
CID 17131059

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethoxyphenyl)carbamothioyl]furan-2-carboxamide?
The IUPAC name of N-[(2-ethoxyphenyl)carbamothioyl]furan-2-carboxamide (CID 1226907) is N-[(2-ethoxyphenyl)carbamothioyl]furan-2-carboxamide.
What is the SMILES notation for N-[(2-ethoxyphenyl)carbamothioyl]furan-2-carboxamide?
The canonical SMILES for N-[(2-ethoxyphenyl)carbamothioyl]furan-2-carboxamide is CCOc1ccccc1NC(=S)NC(=O)c1ccco1.
What is the InChIKey of N-[(2-ethoxyphenyl)carbamothioyl]furan-2-carboxamide?
The InChIKey is RWXWZDVNLVKSTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3S/c1-2-18-11-7-4-3-6-10(11)15-14(20)16-13(17)12-8-5-9-19-12/h3-9H,2H2,1H3,(H2,15,16,17,20).
What are the key properties of N-[(2-ethoxyphenyl)carbamothioyl]furan-2-carboxamide?
N-[(2-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-[(2-ethoxyphenyl)carbamothioyl]furan-2-carboxamide is sourced from PubChem (CID 1226907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).