N-[[2-(difluoromethoxy)phenyl]carbamothioyl]-1-benzofuran-2-carboxamide

C17H12F2N2O3S — CID 1422056

IUPACN-[[2-(difluoromethoxy)phenyl]carbamothioyl]-1-benzofuran-2-carboxamide
SMILESO=C(NC(=S)Nc1ccccc1OC(F)F)c1cc2ccccc2o1
InChIInChI=1S/C17H12F2N2O3S/c18-16(19)24-13-8-4-2-6-11(13)20-17(25)21-15(22)14-9-10-5-1-3-7-12(10)23-14/h1-9,16H,(H2,20,21,22,25)
InChIKeyRFJMGYSYKUOFPY-UHFFFAOYSA-N
MW362.36 g/mol
LogP4.16
Rot. Bonds4

About N-[[2-(difluoromethoxy)phenyl]carbamothioyl]-1-benzofuran-2-carboxamide

N-[[2-(difluoromethoxy)phenyl]carbamothioyl]-1-benzofuran-2-carboxamide (PubChem CID 1422056) has the molecular formula C17H12F2N2O3S and a molecular weight of 362.36 g/mol. Its IUPAC name is N-[[2-(difluoromethoxy)phenyl]carbamothioyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[[2-(difluoromethoxy)phenyl]carbamothioyl]-1-benzofuran-2-carboxamide
PubChem CID1422056
Molecular FormulaC17H12F2N2O3S
Molecular Weight362.36 g/mol
Exact Mass362.05
IUPAC NameN-[[2-(difluoromethoxy)phenyl]carbamothioyl]-1-benzofuran-2-carboxamide
SMILESO=C(NC(=S)Nc1ccccc1OC(F)F)c1cc2ccccc2o1
InChIInChI=1S/C17H12F2N2O3S/c18-16(19)24-13-8-4-2-6-11(13)20-17(25)21-15(22)14-9-10-5-1-3-7-12(10)23-14/h1-9,16H,(H2,20,21,22,25)
InChIKeyRFJMGYSYKUOFPY-UHFFFAOYSA-N
XLogP4.16
TPSA63.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.36
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-hydroxyphenyl)carbamothioyl]-1-benzofuran-2-carboxamide
CID 822277
N-[[2-(difluoromethoxy)phenyl]carbamothioyl]-3-methoxynaphthalene-2-carboxamide
CID 1396157
N-[(2-pentan-2-yloxyphenyl)carbamothioyl]furo[3,2-c]pyridine-2-carboxamide;hydrochloride
CID 87454492
3-(1-benzofuran-2-carbonylcarbamothioylamino)-2-methylbenzoic acid
CID 1328431
N-[[2-(difluoromethoxy)phenyl]carbamothioyl]-4-methylbenzamide
CID 3680959
N-[[4-(acetylcarbamothioylamino)phenyl]carbamothioyl]-1-benzofuran-2-carboxamide
CID 3718880
N-[[2-(difluoromethoxy)phenyl]carbamothioyl]-2,3,5,6-tetrafluoro-4-methoxybenzamide
CID 22778050
N-[(3-chloro-4-methoxyphenyl)carbamothioyl]-1-benzofuran-2-carboxamide
CID 1342731
N-(2-phenoxyphenyl)-1-benzofuran-2-carboxamide
CID 2497370
N-(2-aminophenyl)-5,6-bis(difluoromethoxy)-1-benzofuran-2-carboxamide
CID 52919931
N-[(9-oxofluoren-2-yl)carbamothioyl]-1-benzofuran-2-carboxamide
CID 59786973
N-[2-methoxy-4-(2-methylpropanoylcarbamothioylamino)phenyl]-1-benzofuran-2-carboxamide
CID 1256453

Frequently Asked Questions

What is the IUPAC name of N-[[2-(difluoromethoxy)phenyl]carbamothioyl]-1-benzofuran-2-carboxamide?
The IUPAC name of N-[[2-(difluoromethoxy)phenyl]carbamothioyl]-1-benzofuran-2-carboxamide (CID 1422056) is N-[[2-(difluoromethoxy)phenyl]carbamothioyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[[2-(difluoromethoxy)phenyl]carbamothioyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[[2-(difluoromethoxy)phenyl]carbamothioyl]-1-benzofuran-2-carboxamide is O=C(NC(=S)Nc1ccccc1OC(F)F)c1cc2ccccc2o1.
What is the InChIKey of N-[[2-(difluoromethoxy)phenyl]carbamothioyl]-1-benzofuran-2-carboxamide?
The InChIKey is RFJMGYSYKUOFPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F2N2O3S/c18-16(19)24-13-8-4-2-6-11(13)20-17(25)21-15(22)14-9-10-5-1-3-7-12(10)23-14/h1-9,16H,(H2,20,21,22,25).
What are the key properties of N-[[2-(difluoromethoxy)phenyl]carbamothioyl]-1-benzofuran-2-carboxamide?
N-[[2-(difluoromethoxy)phenyl]carbamothioyl]-1-benzofuran-2-carboxamide has a molecular weight of 362.36 g/mol, XLogP of 4.16, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(difluoromethoxy)phenyl]carbamothioyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 1422056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).