5-(2,3-dichlorophenyl)-N-[(5-hydroxynaphthalen-1-yl)carbamothioyl]furan-2-carboxamide

C22H14Cl2N2O3S — CID 23095039

IUPAC5-(2,3-dichlorophenyl)-N-[(5-hydroxynaphthalen-1-yl)carbamothioyl]furan-2-carboxamide
SMILESO=C(NC(=S)Nc1cccc2c(O)cccc12)c1ccc(-c2cccc(Cl)c2Cl)o1
InChIInChI=1S/C22H14Cl2N2O3S/c23-15-7-1-6-14(20(15)24)18-10-11-19(29-18)21(28)26-22(30)25-16-8-2-5-13-12(16)4-3-9-17(13)27/h1-11,27H,(H2,25,26,28,30)
InChIKeyQHCFPSONGMTLEY-UHFFFAOYSA-N
MW457.34 g/mol
LogP6.24
Rot. Bonds3

About 5-(2,3-dichlorophenyl)-N-[(5-hydroxynaphthalen-1-yl)carbamothioyl]furan-2-carboxamide

5-(2,3-dichlorophenyl)-N-[(5-hydroxynaphthalen-1-yl)carbamothioyl]furan-2-carboxamide (PubChem CID 23095039) has the molecular formula C22H14Cl2N2O3S and a molecular weight of 457.34 g/mol. Its IUPAC name is 5-(2,3-dichlorophenyl)-N-[(5-hydroxynaphthalen-1-yl)carbamothioyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-(2,3-dichlorophenyl)-N-[(5-hydroxynaphthalen-1-yl)carbamothioyl]furan-2-carboxamide
PubChem CID23095039
Molecular FormulaC22H14Cl2N2O3S
Molecular Weight457.34 g/mol
Exact Mass456.01
IUPAC Name5-(2,3-dichlorophenyl)-N-[(5-hydroxynaphthalen-1-yl)carbamothioyl]furan-2-carboxamide
SMILESO=C(NC(=S)Nc1cccc2c(O)cccc12)c1ccc(-c2cccc(Cl)c2Cl)o1
InChIInChI=1S/C22H14Cl2N2O3S/c23-15-7-1-6-14(20(15)24)18-10-11-19(29-18)21(28)26-22(30)25-16-8-2-5-13-12(16)4-3-9-17(13)27/h1-11,27H,(H2,25,26,28,30)
InChIKeyQHCFPSONGMTLEY-UHFFFAOYSA-N
XLogP6.24
TPSA74.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.34
LogP ≤ 56.24
H-Bond Donors ≤ 53
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-[(2,5-dichlorophenyl)carbamothioyl]furan-2-carboxamide
CID 2065633
5-(2,3-dichlorophenyl)-N-[(2-methylquinolin-5-yl)carbamothioyl]furan-2-carboxamide
CID 17313884
5-(3-chloro-4-methylphenyl)-N-[(5-hydroxynaphthalen-1-yl)carbamothioyl]furan-2-carboxamide
CID 22780591
N-[(4-acetylphenyl)carbamothioyl]-5-(2,3-dichlorophenyl)furan-2-carboxamide
CID 1395394
5-(2,3-dichlorophenyl)-N-[[4-(2-methylpropanoylamino)phenyl]carbamothioyl]furan-2-carboxamide
CID 1396155
5-(2,3-dichlorophenyl)-N-[[5-(furan-2-carbonylamino)-2-methylphenyl]carbamothioyl]furan-2-carboxamide
CID 17335701
5-(2,3-dichlorophenyl)-N-[[3-(furan-2-carbonylamino)phenyl]carbamothioyl]furan-2-carboxamide
CID 1395615
N-[(5-hydroxynaphthalen-1-yl)carbamothioyl]furan-2-carboxamide
CID 2235526
N-(1-azabicyclo[2.2.2]octan-3-ylcarbamothioyl)-5-(2,3-dichlorophenyl)furan-2-carboxamide
CID 4566683
3-[5-(2,3-dichlorophenyl)furan-2-yl]-N-[(2-hydroxyphenyl)carbamothioyl]prop-2-enamide
CID 3996402
5-(2,3-dichlorophenyl)-N-[[3-[(2-methylbenzoyl)amino]phenyl]carbamothioyl]furan-2-carboxamide
CID 4010622
N-(4-aminophenyl)-5-(2,3-dichlorophenyl)furan-2-carboxamide
CID 100829850

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dichlorophenyl)-N-[(5-hydroxynaphthalen-1-yl)carbamothioyl]furan-2-carboxamide?
The IUPAC name of 5-(2,3-dichlorophenyl)-N-[(5-hydroxynaphthalen-1-yl)carbamothioyl]furan-2-carboxamide (CID 23095039) is 5-(2,3-dichlorophenyl)-N-[(5-hydroxynaphthalen-1-yl)carbamothioyl]furan-2-carboxamide.
What is the SMILES notation for 5-(2,3-dichlorophenyl)-N-[(5-hydroxynaphthalen-1-yl)carbamothioyl]furan-2-carboxamide?
The canonical SMILES for 5-(2,3-dichlorophenyl)-N-[(5-hydroxynaphthalen-1-yl)carbamothioyl]furan-2-carboxamide is O=C(NC(=S)Nc1cccc2c(O)cccc12)c1ccc(-c2cccc(Cl)c2Cl)o1.
What is the InChIKey of 5-(2,3-dichlorophenyl)-N-[(5-hydroxynaphthalen-1-yl)carbamothioyl]furan-2-carboxamide?
The InChIKey is QHCFPSONGMTLEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14Cl2N2O3S/c23-15-7-1-6-14(20(15)24)18-10-11-19(29-18)21(28)26-22(30)25-16-8-2-5-13-12(16)4-3-9-17(13)27/h1-11,27H,(H2,25,26,28,30).
What are the key properties of 5-(2,3-dichlorophenyl)-N-[(5-hydroxynaphthalen-1-yl)carbamothioyl]furan-2-carboxamide?
5-(2,3-dichlorophenyl)-N-[(5-hydroxynaphthalen-1-yl)carbamothioyl]furan-2-carboxamide has a molecular weight of 457.34 g/mol, XLogP of 6.24, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dichlorophenyl)-N-[(5-hydroxynaphthalen-1-yl)carbamothioyl]furan-2-carboxamide is sourced from PubChem (CID 23095039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).