N-[4-[[3-chloro-5-(dimethylamino)phenyl]carbamothioylamino]phenyl]furan-2-carboxamide

C20H19ClN4O2S — CID 57243648

IUPACN-[4-[[3-chloro-5-(dimethylamino)phenyl]carbamothioylamino]phenyl]furan-2-carboxamide
SMILESCN(C)c1cc(Cl)cc(NC(=S)Nc2ccc(NC(=O)c3ccco3)cc2)c1
InChIInChI=1S/C20H19ClN4O2S/c1-25(2)17-11-13(21)10-16(12-17)24-20(28)23-15-7-5-14(6-8-15)22-19(26)18-4-3-9-27-18/h3-12H,1-2H3,(H,22,26)(H2,23,24,28)
InChIKeyTWSPQWDIFAUADA-UHFFFAOYSA-N
MW414.92 g/mol
LogP5.06
Rot. Bonds5

About N-[4-[[3-chloro-5-(dimethylamino)phenyl]carbamothioylamino]phenyl]furan-2-carboxamide

N-[4-[[3-chloro-5-(dimethylamino)phenyl]carbamothioylamino]phenyl]furan-2-carboxamide (PubChem CID 57243648) has the molecular formula C20H19ClN4O2S and a molecular weight of 414.92 g/mol. Its IUPAC name is N-[4-[[3-chloro-5-(dimethylamino)phenyl]carbamothioylamino]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-[[3-chloro-5-(dimethylamino)phenyl]carbamothioylamino]phenyl]furan-2-carboxamide
PubChem CID57243648
Molecular FormulaC20H19ClN4O2S
Molecular Weight414.92 g/mol
Exact Mass414.09
IUPAC NameN-[4-[[3-chloro-5-(dimethylamino)phenyl]carbamothioylamino]phenyl]furan-2-carboxamide
SMILESCN(C)c1cc(Cl)cc(NC(=S)Nc2ccc(NC(=O)c3ccco3)cc2)c1
InChIInChI=1S/C20H19ClN4O2S/c1-25(2)17-11-13(21)10-16(12-17)24-20(28)23-15-7-5-14(6-8-15)22-19(26)18-4-3-9-27-18/h3-12H,1-2H3,(H,22,26)(H2,23,24,28)
InChIKeyTWSPQWDIFAUADA-UHFFFAOYSA-N
XLogP5.06
TPSA69.54 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.92
LogP ≤ 55.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[4-[[3-chloro-5-(dimethylamino)phenyl]carbamothioylamino]phenyl]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

N-[4-[(2-chlorophenyl)carbamothioylamino]phenyl]furan-2-carboxamide
CID 57081310
N-[4-[(3,5-difluorophenyl)carbamothioylamino]phenyl]furan-2-carboxamide
CID 53488888
N-[4-[(3,5-dimethoxyphenyl)carbamothioylamino]phenyl]furan-2-carboxamide
CID 57305477
N-[4-[(4-amino-3-chlorophenyl)carbamothioylamino]phenyl]furan-2-carboxamide
CID 57105287
N-[4-(methylamino)phenyl]furan-2-carboxamide
CID 63091259
N-[4-(furan-2-carbonylamino)phenyl]furan-2-carboxamide
CID 565232
N-[4-[(2-fluoro-5-methylphenyl)carbamothioylamino]phenyl]furan-2-carboxamide
CID 53364827
N-[4-[(4-benzamido-3-chlorophenyl)carbamothioylamino]phenyl]furan-2-carboxamide
CID 57248454
N-[4-[(4-chlorobenzoyl)amino]phenyl]furan-2-carboxamide
CID 823701
N-[4-(dimethylamino)phenyl]-2-(furan-2-carbonylamino)-1,3-oxazole-4-carboxamide
CID 90515175
N-[3-chloro-4-(dimethylcarbamoyl)phenyl]furan-2-carboxamide
CID 47385052
N-[4-[[3-bromo-4-(trifluoromethyl)phenyl]carbamothioylamino]phenyl]furan-2-carboxamide
CID 141024677

Frequently Asked Questions

What is the IUPAC name of N-[4-[[3-chloro-5-(dimethylamino)phenyl]carbamothioylamino]phenyl]furan-2-carboxamide?
The IUPAC name of N-[4-[[3-chloro-5-(dimethylamino)phenyl]carbamothioylamino]phenyl]furan-2-carboxamide (CID 57243648) is N-[4-[[3-chloro-5-(dimethylamino)phenyl]carbamothioylamino]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-[[3-chloro-5-(dimethylamino)phenyl]carbamothioylamino]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[4-[[3-chloro-5-(dimethylamino)phenyl]carbamothioylamino]phenyl]furan-2-carboxamide is CN(C)c1cc(Cl)cc(NC(=S)Nc2ccc(NC(=O)c3ccco3)cc2)c1.
What is the InChIKey of N-[4-[[3-chloro-5-(dimethylamino)phenyl]carbamothioylamino]phenyl]furan-2-carboxamide?
The InChIKey is TWSPQWDIFAUADA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O2S/c1-25(2)17-11-13(21)10-16(12-17)24-20(28)23-15-7-5-14(6-8-15)22-19(26)18-4-3-9-27-18/h3-12H,1-2H3,(H,22,26)(H2,23,24,28).
What are the key properties of N-[4-[[3-chloro-5-(dimethylamino)phenyl]carbamothioylamino]phenyl]furan-2-carboxamide?
N-[4-[[3-chloro-5-(dimethylamino)phenyl]carbamothioylamino]phenyl]furan-2-carboxamide has a molecular weight of 414.92 g/mol, XLogP of 5.06, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[3-chloro-5-(dimethylamino)phenyl]carbamothioylamino]phenyl]furan-2-carboxamide is sourced from PubChem (CID 57243648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).