N-[[3-[(3,4-difluorophenyl)methoxy]phenyl]carbamothioyl]furo[3,2-c]pyridine-2-carboxamide

C22H15F2N3O3S — CID 11259213

IUPACN-[[3-[(3,4-difluorophenyl)methoxy]phenyl]carbamothioyl]furo[3,2-c]pyridine-2-carboxamide
SMILESO=C(NC(=S)Nc1cccc(OCc2ccc(F)c(F)c2)c1)c1cc2cnccc2o1
InChIInChI=1S/C22H15F2N3O3S/c23-17-5-4-13(8-18(17)24)12-29-16-3-1-2-15(10-16)26-22(31)27-21(28)20-9-14-11-25-7-6-19(14)30-20/h1-11H,12H2,(H2,26,27,28,31)
InChIKeyBSBFNOOVSZSLNI-UHFFFAOYSA-N
MW439.44 g/mol
LogP4.81
Rot. Bonds5

About N-[[3-[(3,4-difluorophenyl)methoxy]phenyl]carbamothioyl]furo[3,2-c]pyridine-2-carboxamide

N-[[3-[(3,4-difluorophenyl)methoxy]phenyl]carbamothioyl]furo[3,2-c]pyridine-2-carboxamide (PubChem CID 11259213) has the molecular formula C22H15F2N3O3S and a molecular weight of 439.44 g/mol. Its IUPAC name is N-[[3-[(3,4-difluorophenyl)methoxy]phenyl]carbamothioyl]furo[3,2-c]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[[3-[(3,4-difluorophenyl)methoxy]phenyl]carbamothioyl]furo[3,2-c]pyridine-2-carboxamide
PubChem CID11259213
Molecular FormulaC22H15F2N3O3S
Molecular Weight439.44 g/mol
Exact Mass439.08
IUPAC NameN-[[3-[(3,4-difluorophenyl)methoxy]phenyl]carbamothioyl]furo[3,2-c]pyridine-2-carboxamide
SMILESO=C(NC(=S)Nc1cccc(OCc2ccc(F)c(F)c2)c1)c1cc2cnccc2o1
InChIInChI=1S/C22H15F2N3O3S/c23-17-5-4-13(8-18(17)24)12-29-16-3-1-2-15(10-16)26-22(31)27-21(28)20-9-14-11-25-7-6-19(14)30-20/h1-11H,12H2,(H2,26,27,28,31)
InChIKeyBSBFNOOVSZSLNI-UHFFFAOYSA-N
XLogP4.81
TPSA76.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.44
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[[3-[(3,4-difluorophenyl)methoxy]phenyl]carbamothioyl]furo[3,2-c]pyridine-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-[(3-fluoro-4-pentoxyphenyl)carbamothioyl]furo[3,2-c]pyridine-2-carboxamide
CID 11223346
5-iodo-N-[(3-phenylmethoxyphenyl)carbamothioyl]-1-benzofuran-2-carboxamide
CID 21041804
N-[3-[(3-phenylmethoxybenzoyl)carbamothioylamino]phenyl]-1-benzofuran-2-carboxamide
CID 17314567
N-[(2-pentan-2-yloxyphenyl)carbamothioyl]furo[3,2-c]pyridine-2-carboxamide;hydrochloride
CID 87454492
2-methyl-N-[(3-phenylmethoxyphenyl)carbamothioyl]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide
CID 59700703
N-[(3-phenylmethoxyphenyl)carbamothioyl]thiadiazole-4-carboxamide
CID 25173086
phenyl 3-(1-benzofuran-2-carbonylcarbamothioylamino)benzoate
CID 21041865
N-[(3-chloro-4-fluorophenyl)carbamothioyl]-3-phenylmethoxybenzamide
CID 1258743
4-(2-phenoxyethoxy)-N-[(3-phenylmethoxyphenyl)carbamothioyl]benzamide
CID 17086224
5-methyl-N-[(3-phenylmethoxyphenyl)carbamothioyl]-2-(trifluoromethyl)furan-3-carboxamide
CID 21041806
methyl 3-[(3-phenylmethoxyphenyl)carbamothioylcarbamoyl]benzoate
CID 17175693
2-amino-2-methyl-N-[(3-phenylmethoxyphenyl)carbamothioyl]propanamide
CID 87958494

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(3,4-difluorophenyl)methoxy]phenyl]carbamothioyl]furo[3,2-c]pyridine-2-carboxamide?
The IUPAC name of N-[[3-[(3,4-difluorophenyl)methoxy]phenyl]carbamothioyl]furo[3,2-c]pyridine-2-carboxamide (CID 11259213) is N-[[3-[(3,4-difluorophenyl)methoxy]phenyl]carbamothioyl]furo[3,2-c]pyridine-2-carboxamide.
What is the SMILES notation for N-[[3-[(3,4-difluorophenyl)methoxy]phenyl]carbamothioyl]furo[3,2-c]pyridine-2-carboxamide?
The canonical SMILES for N-[[3-[(3,4-difluorophenyl)methoxy]phenyl]carbamothioyl]furo[3,2-c]pyridine-2-carboxamide is O=C(NC(=S)Nc1cccc(OCc2ccc(F)c(F)c2)c1)c1cc2cnccc2o1.
What is the InChIKey of N-[[3-[(3,4-difluorophenyl)methoxy]phenyl]carbamothioyl]furo[3,2-c]pyridine-2-carboxamide?
The InChIKey is BSBFNOOVSZSLNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15F2N3O3S/c23-17-5-4-13(8-18(17)24)12-29-16-3-1-2-15(10-16)26-22(31)27-21(28)20-9-14-11-25-7-6-19(14)30-20/h1-11H,12H2,(H2,26,27,28,31).
What are the key properties of N-[[3-[(3,4-difluorophenyl)methoxy]phenyl]carbamothioyl]furo[3,2-c]pyridine-2-carboxamide?
N-[[3-[(3,4-difluorophenyl)methoxy]phenyl]carbamothioyl]furo[3,2-c]pyridine-2-carboxamide has a molecular weight of 439.44 g/mol, XLogP of 4.81, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(3,4-difluorophenyl)methoxy]phenyl]carbamothioyl]furo[3,2-c]pyridine-2-carboxamide is sourced from PubChem (CID 11259213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).