N-[4-[(4-amino-3-chlorophenyl)carbamothioylamino]phenyl]furan-2-carboxamide

C18H15ClN4O2S — CID 57105287

IUPACN-[4-[(4-amino-3-chlorophenyl)carbamothioylamino]phenyl]furan-2-carboxamide
SMILESNc1ccc(NC(=S)Nc2ccc(NC(=O)c3ccco3)cc2)cc1Cl
InChIInChI=1S/C18H15ClN4O2S/c19-14-10-13(7-8-15(14)20)23-18(26)22-12-5-3-11(4-6-12)21-17(24)16-2-1-9-25-16/h1-10H,20H2,(H,21,24)(H2,22,23,26)
InChIKeyAHBCNQRBIHKQPG-UHFFFAOYSA-N
MW386.86 g/mol
LogP4.58
Rot. Bonds4

About N-[4-[(4-amino-3-chlorophenyl)carbamothioylamino]phenyl]furan-2-carboxamide

N-[4-[(4-amino-3-chlorophenyl)carbamothioylamino]phenyl]furan-2-carboxamide (PubChem CID 57105287) has the molecular formula C18H15ClN4O2S and a molecular weight of 386.86 g/mol. Its IUPAC name is N-[4-[(4-amino-3-chlorophenyl)carbamothioylamino]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-[(4-amino-3-chlorophenyl)carbamothioylamino]phenyl]furan-2-carboxamide
PubChem CID57105287
Molecular FormulaC18H15ClN4O2S
Molecular Weight386.86 g/mol
Exact Mass386.06
IUPAC NameN-[4-[(4-amino-3-chlorophenyl)carbamothioylamino]phenyl]furan-2-carboxamide
SMILESNc1ccc(NC(=S)Nc2ccc(NC(=O)c3ccco3)cc2)cc1Cl
InChIInChI=1S/C18H15ClN4O2S/c19-14-10-13(7-8-15(14)20)23-18(26)22-12-5-3-11(4-6-12)21-17(24)16-2-1-9-25-16/h1-10H,20H2,(H,21,24)(H2,22,23,26)
InChIKeyAHBCNQRBIHKQPG-UHFFFAOYSA-N
XLogP4.58
TPSA92.32 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.86
LogP ≤ 54.58
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[(4-benzamido-3-chlorophenyl)carbamothioylamino]phenyl]furan-2-carboxamide
CID 57248454
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-(furan-2-carbonylamino)phenyl]furan-2-carboxamide
CID 565232
N-[4-[[3-chloro-5-(dimethylamino)phenyl]carbamothioylamino]phenyl]furan-2-carboxamide
CID 57243648
N-[4-[(3,5-dimethoxyphenyl)carbamothioylamino]phenyl]furan-2-carboxamide
CID 57305477
N-[4-[[3-bromo-4-(trifluoromethyl)phenyl]carbamothioylamino]phenyl]furan-2-carboxamide
CID 141024677
2-chloro-5-(furan-2-carbonylamino)benzoate
CID 7473194
N-[3-[(2,4-dichlorobenzoyl)carbamothioylamino]phenyl]furan-2-carboxamide
CID 3495265
N-[3-chloro-4-(dimethylcarbamoyl)phenyl]furan-2-carboxamide
CID 47385052
N-[2-chloro-4-[(2-chlorobenzoyl)amino]phenyl]furan-2-carboxamide
CID 4308074
N-[[3-[(3-chloro-4-fluorophenyl)carbamoyl]phenyl]carbamothioyl]furan-2-carboxamide
CID 26167264

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-amino-3-chlorophenyl)carbamothioylamino]phenyl]furan-2-carboxamide?
The IUPAC name of N-[4-[(4-amino-3-chlorophenyl)carbamothioylamino]phenyl]furan-2-carboxamide (CID 57105287) is N-[4-[(4-amino-3-chlorophenyl)carbamothioylamino]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-[(4-amino-3-chlorophenyl)carbamothioylamino]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[4-[(4-amino-3-chlorophenyl)carbamothioylamino]phenyl]furan-2-carboxamide is Nc1ccc(NC(=S)Nc2ccc(NC(=O)c3ccco3)cc2)cc1Cl.
What is the InChIKey of N-[4-[(4-amino-3-chlorophenyl)carbamothioylamino]phenyl]furan-2-carboxamide?
The InChIKey is AHBCNQRBIHKQPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN4O2S/c19-14-10-13(7-8-15(14)20)23-18(26)22-12-5-3-11(4-6-12)21-17(24)16-2-1-9-25-16/h1-10H,20H2,(H,21,24)(H2,22,23,26).
What are the key properties of N-[4-[(4-amino-3-chlorophenyl)carbamothioylamino]phenyl]furan-2-carboxamide?
N-[4-[(4-amino-3-chlorophenyl)carbamothioylamino]phenyl]furan-2-carboxamide has a molecular weight of 386.86 g/mol, XLogP of 4.58, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-amino-3-chlorophenyl)carbamothioylamino]phenyl]furan-2-carboxamide is sourced from PubChem (CID 57105287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).