N-[4-[(2-fluoro-5-methylphenyl)carbamothioylamino]phenyl]furan-2-carboxamide

C19H16FN3O2S — CID 53364827

IUPACN-[4-[(2-fluoro-5-methylphenyl)carbamothioylamino]phenyl]furan-2-carboxamide
SMILESCc1ccc(F)c(NC(=S)Nc2ccc(NC(=O)c3ccco3)cc2)c1
InChIInChI=1S/C19H16FN3O2S/c1-12-4-9-15(20)16(11-12)23-19(26)22-14-7-5-13(6-8-14)21-18(24)17-3-2-10-25-17/h2-11H,1H3,(H,21,24)(H2,22,23,26)
InChIKeyPFACHQLNSGBFRZ-UHFFFAOYSA-N
MW369.42 g/mol
LogP4.79
Rot. Bonds4

About N-[4-[(2-fluoro-5-methylphenyl)carbamothioylamino]phenyl]furan-2-carboxamide

N-[4-[(2-fluoro-5-methylphenyl)carbamothioylamino]phenyl]furan-2-carboxamide (PubChem CID 53364827) has the molecular formula C19H16FN3O2S and a molecular weight of 369.42 g/mol. Its IUPAC name is N-[4-[(2-fluoro-5-methylphenyl)carbamothioylamino]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-[(2-fluoro-5-methylphenyl)carbamothioylamino]phenyl]furan-2-carboxamide
PubChem CID53364827
Molecular FormulaC19H16FN3O2S
Molecular Weight369.42 g/mol
Exact Mass369.09
IUPAC NameN-[4-[(2-fluoro-5-methylphenyl)carbamothioylamino]phenyl]furan-2-carboxamide
SMILESCc1ccc(F)c(NC(=S)Nc2ccc(NC(=O)c3ccco3)cc2)c1
InChIInChI=1S/C19H16FN3O2S/c1-12-4-9-15(20)16(11-12)23-19(26)22-14-7-5-13(6-8-14)21-18(24)17-3-2-10-25-17/h2-11H,1H3,(H,21,24)(H2,22,23,26)
InChIKeyPFACHQLNSGBFRZ-UHFFFAOYSA-N
XLogP4.79
TPSA66.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 54.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[(3,5-difluorophenyl)carbamothioylamino]phenyl]furan-2-carboxamide
CID 53488888
N-[4-[(2-chlorophenyl)carbamothioylamino]phenyl]furan-2-carboxamide
CID 57081310
N-[4-[(3,5-dimethoxyphenyl)carbamothioylamino]phenyl]furan-2-carboxamide
CID 57305477
N-[4-(furan-2-carbonylamino)phenyl]furan-2-carboxamide
CID 565232
N-(2,5-difluorophenyl)furan-2-carboxamide
CID 2711385
N-(4-fluorophenyl)furan-2-carboxamide
CID 531893
N-[4-[[3-chloro-5-(dimethylamino)phenyl]carbamothioylamino]phenyl]furan-2-carboxamide
CID 57243648
N-[4-[(2,5-dimethylphenyl)sulfamoyl]phenyl]furan-2-carboxamide
CID 648040
N-[4-[[3-bromo-4-(trifluoromethyl)phenyl]carbamothioylamino]phenyl]furan-2-carboxamide
CID 141024677
N-[4-[(2-chloro-4-methylphenyl)carbamoyl]phenyl]furan-2-carboxamide
CID 29204883
N-[4-(methylamino)phenyl]furan-2-carboxamide
CID 63091259
[4-(furan-2-carbonylamino)phenyl]carbamic acid
CID 18543126

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-fluoro-5-methylphenyl)carbamothioylamino]phenyl]furan-2-carboxamide?
The IUPAC name of N-[4-[(2-fluoro-5-methylphenyl)carbamothioylamino]phenyl]furan-2-carboxamide (CID 53364827) is N-[4-[(2-fluoro-5-methylphenyl)carbamothioylamino]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-[(2-fluoro-5-methylphenyl)carbamothioylamino]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[4-[(2-fluoro-5-methylphenyl)carbamothioylamino]phenyl]furan-2-carboxamide is Cc1ccc(F)c(NC(=S)Nc2ccc(NC(=O)c3ccco3)cc2)c1.
What is the InChIKey of N-[4-[(2-fluoro-5-methylphenyl)carbamothioylamino]phenyl]furan-2-carboxamide?
The InChIKey is PFACHQLNSGBFRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN3O2S/c1-12-4-9-15(20)16(11-12)23-19(26)22-14-7-5-13(6-8-14)21-18(24)17-3-2-10-25-17/h2-11H,1H3,(H,21,24)(H2,22,23,26).
What are the key properties of N-[4-[(2-fluoro-5-methylphenyl)carbamothioylamino]phenyl]furan-2-carboxamide?
N-[4-[(2-fluoro-5-methylphenyl)carbamothioylamino]phenyl]furan-2-carboxamide has a molecular weight of 369.42 g/mol, XLogP of 4.79, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2-fluoro-5-methylphenyl)carbamothioylamino]phenyl]furan-2-carboxamide is sourced from PubChem (CID 53364827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).