N-[(9-oxofluoren-2-yl)carbamothioyl]-1-benzofuran-2-carboxamide

C23H14N2O3S — CID 59786973

IUPACN-[(9-oxofluoren-2-yl)carbamothioyl]-1-benzofuran-2-carboxamide
SMILESO=C(NC(=S)Nc1ccc2c(c1)C(=O)c1ccccc1-2)c1cc2ccccc2o1
InChIInChI=1S/C23H14N2O3S/c26-21-17-7-3-2-6-15(17)16-10-9-14(12-18(16)21)24-23(29)25-22(27)20-11-13-5-1-4-8-19(13)28-20/h1-12H,(H2,24,25,27,29)
InChIKeyQGUQXBTYDDTCFB-UHFFFAOYSA-N
MW398.44 g/mol
LogP4.77
Rot. Bonds2

About N-[(9-oxofluoren-2-yl)carbamothioyl]-1-benzofuran-2-carboxamide

N-[(9-oxofluoren-2-yl)carbamothioyl]-1-benzofuran-2-carboxamide (PubChem CID 59786973) has the molecular formula C23H14N2O3S and a molecular weight of 398.44 g/mol. Its IUPAC name is N-[(9-oxofluoren-2-yl)carbamothioyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[(9-oxofluoren-2-yl)carbamothioyl]-1-benzofuran-2-carboxamide
PubChem CID59786973
Molecular FormulaC23H14N2O3S
Molecular Weight398.44 g/mol
Exact Mass398.07
IUPAC NameN-[(9-oxofluoren-2-yl)carbamothioyl]-1-benzofuran-2-carboxamide
SMILESO=C(NC(=S)Nc1ccc2c(c1)C(=O)c1ccccc1-2)c1cc2ccccc2o1
InChIInChI=1S/C23H14N2O3S/c26-21-17-7-3-2-6-15(17)16-10-9-14(12-18(16)21)24-23(29)25-22(27)20-11-13-5-1-4-8-19(13)28-20/h1-12H,(H2,24,25,27,29)
InChIKeyQGUQXBTYDDTCFB-UHFFFAOYSA-N
XLogP4.77
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.44
LogP ≤ 54.77
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-[[4-(acetylcarbamothioylamino)phenyl]carbamothioyl]-1-benzofuran-2-carboxamide
CID 3718880
N-[(4-bromo-3-methylphenyl)carbamothioyl]-1-benzofuran-2-carboxamide
CID 1016910
N-[[3-(1,3-benzoxazol-2-yl)-4-chlorophenyl]carbamothioyl]-1-benzofuran-2-carboxamide
CID 4260996
N-[(3-chloro-4-methoxyphenyl)carbamothioyl]-1-benzofuran-2-carboxamide
CID 1342731
N-[[4-(diethylamino)phenyl]carbamothioyl]-1-benzofuran-2-carboxamide
CID 1016545
N-[(2-hydroxyphenyl)carbamothioyl]-1-benzofuran-2-carboxamide
CID 822277
N-[(2-phenyl-1,3-benzoxazol-5-yl)carbamothioyl]-1-benzofuran-2-carboxamide
CID 1340360
cyclohexyl 4-(1-benzofuran-2-carbonylcarbamothioylamino)benzoate
CID 17128797
N-[4-(naphthalene-1-carbonylcarbamothioylamino)phenyl]-1-benzofuran-2-carboxamide
CID 17109692
N-[[3-(trifluoromethylsulfanyl)phenyl]carbamothioyl]-1-benzofuran-2-carboxamide
CID 21041833
N-[[4-(5-ethyl-1,3-benzoxazol-2-yl)-3-hydroxyphenyl]carbamothioyl]-1-benzofuran-2-carboxamide
CID 135718019
phenyl 3-(1-benzofuran-2-carbonylcarbamothioylamino)benzoate
CID 21041865

Frequently Asked Questions

What is the IUPAC name of N-[(9-oxofluoren-2-yl)carbamothioyl]-1-benzofuran-2-carboxamide?
The IUPAC name of N-[(9-oxofluoren-2-yl)carbamothioyl]-1-benzofuran-2-carboxamide (CID 59786973) is N-[(9-oxofluoren-2-yl)carbamothioyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[(9-oxofluoren-2-yl)carbamothioyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[(9-oxofluoren-2-yl)carbamothioyl]-1-benzofuran-2-carboxamide is O=C(NC(=S)Nc1ccc2c(c1)C(=O)c1ccccc1-2)c1cc2ccccc2o1.
What is the InChIKey of N-[(9-oxofluoren-2-yl)carbamothioyl]-1-benzofuran-2-carboxamide?
The InChIKey is QGUQXBTYDDTCFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14N2O3S/c26-21-17-7-3-2-6-15(17)16-10-9-14(12-18(16)21)24-23(29)25-22(27)20-11-13-5-1-4-8-19(13)28-20/h1-12H,(H2,24,25,27,29).
What are the key properties of N-[(9-oxofluoren-2-yl)carbamothioyl]-1-benzofuran-2-carboxamide?
N-[(9-oxofluoren-2-yl)carbamothioyl]-1-benzofuran-2-carboxamide has a molecular weight of 398.44 g/mol, XLogP of 4.77, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(9-oxofluoren-2-yl)carbamothioyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 59786973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).