N-[(4-acetylphenyl)carbamothioyl]-5-(2,3-dichlorophenyl)furan-2-carboxamide

C20H14Cl2N2O3S — CID 1395394

IUPACN-[(4-acetylphenyl)carbamothioyl]-5-(2,3-dichlorophenyl)furan-2-carboxamide
SMILESCC(=O)c1ccc(NC(=S)NC(=O)c2ccc(-c3cccc(Cl)c3Cl)o2)cc1
InChIInChI=1S/C20H14Cl2N2O3S/c1-11(25)12-5-7-13(8-6-12)23-20(28)24-19(26)17-10-9-16(27-17)14-3-2-4-15(21)18(14)22/h2-10H,1H3,(H2,23,24,26,28)
InChIKeyGICVGMGMKQNLFT-UHFFFAOYSA-N
MW433.32 g/mol
LogP5.58
Rot. Bonds4

About N-[(4-acetylphenyl)carbamothioyl]-5-(2,3-dichlorophenyl)furan-2-carboxamide

N-[(4-acetylphenyl)carbamothioyl]-5-(2,3-dichlorophenyl)furan-2-carboxamide (PubChem CID 1395394) has the molecular formula C20H14Cl2N2O3S and a molecular weight of 433.32 g/mol. Its IUPAC name is N-[(4-acetylphenyl)carbamothioyl]-5-(2,3-dichlorophenyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[(4-acetylphenyl)carbamothioyl]-5-(2,3-dichlorophenyl)furan-2-carboxamide
PubChem CID1395394
Molecular FormulaC20H14Cl2N2O3S
Molecular Weight433.32 g/mol
Exact Mass432.01
IUPAC NameN-[(4-acetylphenyl)carbamothioyl]-5-(2,3-dichlorophenyl)furan-2-carboxamide
SMILESCC(=O)c1ccc(NC(=S)NC(=O)c2ccc(-c3cccc(Cl)c3Cl)o2)cc1
InChIInChI=1S/C20H14Cl2N2O3S/c1-11(25)12-5-7-13(8-6-12)23-20(28)24-19(26)17-10-9-16(27-17)14-3-2-4-15(21)18(14)22/h2-10H,1H3,(H2,23,24,26,28)
InChIKeyGICVGMGMKQNLFT-UHFFFAOYSA-N
XLogP5.58
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.32
LogP ≤ 55.58
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

5-(2,3-dichlorophenyl)-N-[[4-(2-methylpropanoylamino)phenyl]carbamothioyl]furan-2-carboxamide
CID 1396155
N-[[4-(4-acetylpiperazin-1-yl)-3-chlorophenyl]carbamothioyl]-5-(2,3-dichlorophenyl)furan-2-carboxamide
CID 17317714
5-(2,3-dichlorophenyl)-N-[(5-hydroxynaphthalen-1-yl)carbamothioyl]furan-2-carboxamide
CID 23095039
5-(2,3-dichlorophenyl)-N-[[3-[(2-methylbenzoyl)amino]phenyl]carbamothioyl]furan-2-carboxamide
CID 4010622
5-(2,3-dichlorophenyl)-N-[[3-(furan-2-carbonylamino)phenyl]carbamothioyl]furan-2-carboxamide
CID 1395615
5-(2,3-dichlorophenyl)-N-[(2,5-dichlorophenyl)carbamothioyl]furan-2-carboxamide
CID 2065633
N-(4-aminophenyl)-5-(2,3-dichlorophenyl)furan-2-carboxamide
CID 100829850
5-(2,3-dichlorophenyl)-N-[[5-(furan-2-carbonylamino)-2-methylphenyl]carbamothioyl]furan-2-carboxamide
CID 17335701
5-(2-chlorophenyl)-N-[(4-nitrophenyl)carbamothioyl]furan-2-carboxamide
CID 10668776
5-(2,3-dichlorophenyl)-N-[[4-[4-(thiophene-2-carbonyl)piperazin-1-yl]phenyl]carbamothioyl]furan-2-carboxamide
CID 1396312
5-(2,3-dichlorophenyl)-N-[(2-methylquinolin-5-yl)carbamothioyl]furan-2-carboxamide
CID 17313884
5-(2,3-dichlorophenyl)-N-(3,4-dimethylphenyl)furan-2-carboxamide
CID 1323463

Frequently Asked Questions

What is the IUPAC name of N-[(4-acetylphenyl)carbamothioyl]-5-(2,3-dichlorophenyl)furan-2-carboxamide?
The IUPAC name of N-[(4-acetylphenyl)carbamothioyl]-5-(2,3-dichlorophenyl)furan-2-carboxamide (CID 1395394) is N-[(4-acetylphenyl)carbamothioyl]-5-(2,3-dichlorophenyl)furan-2-carboxamide.
What is the SMILES notation for N-[(4-acetylphenyl)carbamothioyl]-5-(2,3-dichlorophenyl)furan-2-carboxamide?
The canonical SMILES for N-[(4-acetylphenyl)carbamothioyl]-5-(2,3-dichlorophenyl)furan-2-carboxamide is CC(=O)c1ccc(NC(=S)NC(=O)c2ccc(-c3cccc(Cl)c3Cl)o2)cc1.
What is the InChIKey of N-[(4-acetylphenyl)carbamothioyl]-5-(2,3-dichlorophenyl)furan-2-carboxamide?
The InChIKey is GICVGMGMKQNLFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14Cl2N2O3S/c1-11(25)12-5-7-13(8-6-12)23-20(28)24-19(26)17-10-9-16(27-17)14-3-2-4-15(21)18(14)22/h2-10H,1H3,(H2,23,24,26,28).
What are the key properties of N-[(4-acetylphenyl)carbamothioyl]-5-(2,3-dichlorophenyl)furan-2-carboxamide?
N-[(4-acetylphenyl)carbamothioyl]-5-(2,3-dichlorophenyl)furan-2-carboxamide has a molecular weight of 433.32 g/mol, XLogP of 5.58, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-acetylphenyl)carbamothioyl]-5-(2,3-dichlorophenyl)furan-2-carboxamide is sourced from PubChem (CID 1395394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).