5-(4-chlorophenyl)-N-[(2-methylquinolin-5-yl)carbamothioyl]furan-2-carboxamide

C22H16ClN3O2S — CID 17313480

IUPAC5-(4-chlorophenyl)-N-[(2-methylquinolin-5-yl)carbamothioyl]furan-2-carboxamide
SMILESCc1ccc2c(NC(=S)NC(=O)c3ccc(-c4ccc(Cl)cc4)o3)cccc2n1
InChIInChI=1S/C22H16ClN3O2S/c1-13-5-10-16-17(24-13)3-2-4-18(16)25-22(29)26-21(27)20-12-11-19(28-20)14-6-8-15(23)9-7-14/h2-12H,1H3,(H2,25,26,27,29)
InChIKeyIHYVOSFKTDENEY-UHFFFAOYSA-N
MW421.91 g/mol
LogP5.58
Rot. Bonds3

About 5-(4-chlorophenyl)-N-[(2-methylquinolin-5-yl)carbamothioyl]furan-2-carboxamide

5-(4-chlorophenyl)-N-[(2-methylquinolin-5-yl)carbamothioyl]furan-2-carboxamide (PubChem CID 17313480) has the molecular formula C22H16ClN3O2S and a molecular weight of 421.91 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-N-[(2-methylquinolin-5-yl)carbamothioyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-(4-chlorophenyl)-N-[(2-methylquinolin-5-yl)carbamothioyl]furan-2-carboxamide
PubChem CID17313480
Molecular FormulaC22H16ClN3O2S
Molecular Weight421.91 g/mol
Exact Mass421.07
IUPAC Name5-(4-chlorophenyl)-N-[(2-methylquinolin-5-yl)carbamothioyl]furan-2-carboxamide
SMILESCc1ccc2c(NC(=S)NC(=O)c3ccc(-c4ccc(Cl)cc4)o3)cccc2n1
InChIInChI=1S/C22H16ClN3O2S/c1-13-5-10-16-17(24-13)3-2-4-18(16)25-22(29)26-21(27)20-12-11-19(28-20)14-6-8-15(23)9-7-14/h2-12H,1H3,(H2,25,26,27,29)
InChIKeyIHYVOSFKTDENEY-UHFFFAOYSA-N
XLogP5.58
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.91
LogP ≤ 55.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-(4-chlorophenyl)-N-[(2-methylquinolin-5-yl)carbamothioyl]furan-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(2,3-dichlorophenyl)-N-[(2-methylquinolin-5-yl)carbamothioyl]furan-2-carboxamide
CID 17313884
5-(4-chlorophenyl)-N-[(6-hydroxynaphthalen-1-yl)carbamothioyl]furan-2-carboxamide
CID 4262761
N-[[4-(1,3-benzothiazol-2-yl)-2-methylphenyl]carbamothioyl]-5-(4-chlorophenyl)furan-2-carboxamide
CID 17114771
1-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-(2-methylquinolin-5-yl)cyclopropane-1-carboxamide
CID 90504519
N-[(2-butan-2-ylphenyl)carbamothioyl]-5-(4-chlorophenyl)furan-2-carboxamide
CID 3850083
3,4-dimethyl-N-[(2-methylquinolin-5-yl)carbamothioyl]benzamide
CID 17335812
5-(3-chloro-4-methylphenyl)-N-[(5-hydroxynaphthalen-1-yl)carbamothioyl]furan-2-carboxamide
CID 22780591
4-chloro-3-[[5-(4-chlorophenyl)furan-2-carbonyl]carbamothioylamino]benzoic acid
CID 4506647
N-[[5-(1,3-benzothiazol-2-yl)-2-methoxyphenyl]carbamothioyl]-5-(4-chlorophenyl)furan-2-carboxamide
CID 17316068
5-(4-chlorophenyl)-N-[[4-[(2-phenylacetyl)amino]phenyl]carbamothioyl]furan-2-carboxamide
CID 17115611
5-(3,4-dimethylphenyl)-N-[(2,3-dimethylphenyl)carbamothioyl]furan-2-carboxamide
CID 5097661
N-[(4-chloro-1,3-benzothiazol-2-yl)carbamothioyl]-5-(4-chlorophenyl)furan-2-carboxamide
CID 4240554

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-N-[(2-methylquinolin-5-yl)carbamothioyl]furan-2-carboxamide?
The IUPAC name of 5-(4-chlorophenyl)-N-[(2-methylquinolin-5-yl)carbamothioyl]furan-2-carboxamide (CID 17313480) is 5-(4-chlorophenyl)-N-[(2-methylquinolin-5-yl)carbamothioyl]furan-2-carboxamide.
What is the SMILES notation for 5-(4-chlorophenyl)-N-[(2-methylquinolin-5-yl)carbamothioyl]furan-2-carboxamide?
The canonical SMILES for 5-(4-chlorophenyl)-N-[(2-methylquinolin-5-yl)carbamothioyl]furan-2-carboxamide is Cc1ccc2c(NC(=S)NC(=O)c3ccc(-c4ccc(Cl)cc4)o3)cccc2n1.
What is the InChIKey of 5-(4-chlorophenyl)-N-[(2-methylquinolin-5-yl)carbamothioyl]furan-2-carboxamide?
The InChIKey is IHYVOSFKTDENEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16ClN3O2S/c1-13-5-10-16-17(24-13)3-2-4-18(16)25-22(29)26-21(27)20-12-11-19(28-20)14-6-8-15(23)9-7-14/h2-12H,1H3,(H2,25,26,27,29).
What are the key properties of 5-(4-chlorophenyl)-N-[(2-methylquinolin-5-yl)carbamothioyl]furan-2-carboxamide?
5-(4-chlorophenyl)-N-[(2-methylquinolin-5-yl)carbamothioyl]furan-2-carboxamide has a molecular weight of 421.91 g/mol, XLogP of 5.58, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-N-[(2-methylquinolin-5-yl)carbamothioyl]furan-2-carboxamide is sourced from PubChem (CID 17313480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).