(E)-N-carbamothioyl-3-[5-(2,3-dichlorophenyl)furan-2-yl]prop-2-enamide

C14H10Cl2N2O2S — CID 132591100

IUPAC(E)-N-carbamothioyl-3-[5-(2,3-dichlorophenyl)furan-2-yl]prop-2-enamide
SMILESNC(=S)NC(=O)/C=C/c1ccc(-c2cccc(Cl)c2Cl)o1
InChIInChI=1S/C14H10Cl2N2O2S/c15-10-3-1-2-9(13(10)16)11-6-4-8(20-11)5-7-12(19)18-14(17)21/h1-7H,(H3,17,18,19,21)/b7-5+
InChIKeyFRMFZFLJKXXDIS-FNORWQNLSA-N
MW341.22 g/mol
LogP3.63
Rot. Bonds3

About (E)-N-carbamothioyl-3-[5-(2,3-dichlorophenyl)furan-2-yl]prop-2-enamide

(E)-N-carbamothioyl-3-[5-(2,3-dichlorophenyl)furan-2-yl]prop-2-enamide (PubChem CID 132591100) has the molecular formula C14H10Cl2N2O2S and a molecular weight of 341.22 g/mol. Its IUPAC name is (E)-N-carbamothioyl-3-[5-(2,3-dichlorophenyl)furan-2-yl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-carbamothioyl-3-[5-(2,3-dichlorophenyl)furan-2-yl]prop-2-enamide
PubChem CID132591100
Molecular FormulaC14H10Cl2N2O2S
Molecular Weight341.22 g/mol
Exact Mass339.98
IUPAC Name(E)-N-carbamothioyl-3-[5-(2,3-dichlorophenyl)furan-2-yl]prop-2-enamide
SMILESNC(=S)NC(=O)/C=C/c1ccc(-c2cccc(Cl)c2Cl)o1
InChIInChI=1S/C14H10Cl2N2O2S/c15-10-3-1-2-9(13(10)16)11-6-4-8(20-11)5-7-12(19)18-14(17)21/h1-7H,(H3,17,18,19,21)/b7-5+
InChIKeyFRMFZFLJKXXDIS-FNORWQNLSA-N
XLogP3.63
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.22
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

(Z)-3-[5-(2,3-dichlorophenyl)furan-2-yl]prop-2-enamide
CID 94034259
3-[5-(2,3-dichlorophenyl)furan-2-yl]-N-(pyrrolidine-1-carbothioyl)prop-2-enamide
CID 3507107
3-[5-(2,3-dichlorophenyl)furan-2-yl]-N-[(2-hydroxyphenyl)carbamothioyl]prop-2-enamide
CID 3996402
(E)-3-[5-(2,3-dichlorophenyl)furan-2-yl]-N-[(4,6-dimethylpyrimidin-2-yl)carbamothioyl]prop-2-enamide
CID 17103606
2-[[(E)-3-[5-(2,3-dichlorophenyl)furan-2-yl]prop-2-enoyl]carbamothioylamino]benzoic acid
CID 17103608
N-[(4-tert-butylphenyl)carbamothioyl]-3-[5-(2,3-dichlorophenyl)furan-2-yl]prop-2-enamide
CID 4264015
3-[5-(2,3-dichlorophenyl)furan-2-yl]-N-[[4-(dimethylamino)phenyl]carbamothioyl]prop-2-enamide
CID 3910951
N-[4-[3-[5-(2,3-dichlorophenyl)furan-2-yl]prop-2-enoylcarbamothioylamino]phenyl]butanamide
CID 5202888
3-[5-(2,3-dichlorophenyl)furan-2-yl]-N-[(2-nitrophenyl)carbamothioyl]prop-2-enamide
CID 4531416
N-(2,5-dichlorophenyl)-3-[5-(2,3-dichlorophenyl)furan-2-yl]prop-2-enamide
CID 3673672
3-[5-(2,3-dichlorophenyl)furan-2-yl]-N-[(2,4-dimethoxyphenyl)carbamothioyl]prop-2-enamide
CID 3646960
3-[5-(2,3-dichlorophenyl)furan-2-yl]-N-(1,2-dihydroacenaphthylen-5-ylcarbamothioyl)prop-2-enamide
CID 5217579

Frequently Asked Questions

What is the IUPAC name of (E)-N-carbamothioyl-3-[5-(2,3-dichlorophenyl)furan-2-yl]prop-2-enamide?
The IUPAC name of (E)-N-carbamothioyl-3-[5-(2,3-dichlorophenyl)furan-2-yl]prop-2-enamide (CID 132591100) is (E)-N-carbamothioyl-3-[5-(2,3-dichlorophenyl)furan-2-yl]prop-2-enamide.
What is the SMILES notation for (E)-N-carbamothioyl-3-[5-(2,3-dichlorophenyl)furan-2-yl]prop-2-enamide?
The canonical SMILES for (E)-N-carbamothioyl-3-[5-(2,3-dichlorophenyl)furan-2-yl]prop-2-enamide is NC(=S)NC(=O)/C=C/c1ccc(-c2cccc(Cl)c2Cl)o1.
What is the InChIKey of (E)-N-carbamothioyl-3-[5-(2,3-dichlorophenyl)furan-2-yl]prop-2-enamide?
The InChIKey is FRMFZFLJKXXDIS-FNORWQNLSA-N. The full InChI is InChI=1S/C14H10Cl2N2O2S/c15-10-3-1-2-9(13(10)16)11-6-4-8(20-11)5-7-12(19)18-14(17)21/h1-7H,(H3,17,18,19,21)/b7-5+.
What are the key properties of (E)-N-carbamothioyl-3-[5-(2,3-dichlorophenyl)furan-2-yl]prop-2-enamide?
(E)-N-carbamothioyl-3-[5-(2,3-dichlorophenyl)furan-2-yl]prop-2-enamide has a molecular weight of 341.22 g/mol, XLogP of 3.63, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-carbamothioyl-3-[5-(2,3-dichlorophenyl)furan-2-yl]prop-2-enamide is sourced from PubChem (CID 132591100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).