5-(4-chlorophenyl)-N-(9H-fluoren-2-ylcarbamothioyl)furan-2-carboxamide

C25H17ClN2O2S — CID 3831925

IUPAC5-(4-chlorophenyl)-N-(9H-fluoren-2-ylcarbamothioyl)furan-2-carboxamide
SMILESO=C(NC(=S)Nc1ccc2c(c1)Cc1ccccc1-2)c1ccc(-c2ccc(Cl)cc2)o1
InChIInChI=1S/C25H17ClN2O2S/c26-18-7-5-15(6-8-18)22-11-12-23(30-22)24(29)28-25(31)27-19-9-10-21-17(14-19)13-16-3-1-2-4-20(16)21/h1-12,14H,13H2,(H2,27,28,29,31)
InChIKeyJJLPGWRJJWPPAS-UHFFFAOYSA-N
MW444.94 g/mol
LogP6.30
Rot. Bonds3

About 5-(4-chlorophenyl)-N-(9H-fluoren-2-ylcarbamothioyl)furan-2-carboxamide

5-(4-chlorophenyl)-N-(9H-fluoren-2-ylcarbamothioyl)furan-2-carboxamide (PubChem CID 3831925) has the molecular formula C25H17ClN2O2S and a molecular weight of 444.94 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-N-(9H-fluoren-2-ylcarbamothioyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-(4-chlorophenyl)-N-(9H-fluoren-2-ylcarbamothioyl)furan-2-carboxamide
PubChem CID3831925
Molecular FormulaC25H17ClN2O2S
Molecular Weight444.94 g/mol
Exact Mass444.07
IUPAC Name5-(4-chlorophenyl)-N-(9H-fluoren-2-ylcarbamothioyl)furan-2-carboxamide
SMILESO=C(NC(=S)Nc1ccc2c(c1)Cc1ccccc1-2)c1ccc(-c2ccc(Cl)cc2)o1
InChIInChI=1S/C25H17ClN2O2S/c26-18-7-5-15(6-8-18)22-11-12-23(30-22)24(29)28-25(31)27-19-9-10-21-17(14-19)13-16-3-1-2-4-20(16)21/h1-12,14H,13H2,(H2,27,28,29,31)
InChIKeyJJLPGWRJJWPPAS-UHFFFAOYSA-N
XLogP6.30
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.94
LogP ≤ 56.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(4-chlorophenyl)-N-[[4-[(2-phenylacetyl)amino]phenyl]carbamothioyl]furan-2-carboxamide
CID 17115611
5-(4-chlorophenyl)-N-[[4-(pyridin-4-ylmethyl)phenyl]carbamothioyl]furan-2-carboxamide
CID 3801303
N-(9H-fluoren-2-ylcarbamothioyl)acetamide
CID 17099951
N-[4-(acetylcarbamothioylamino)phenyl]-5-(4-chlorophenyl)furan-2-carboxamide
CID 5230073
N-[(4-chlorophenyl)carbamothioyl]-5-(3,4-dimethylphenyl)furan-2-carboxamide
CID 3913723
N-(9H-fluoren-2-ylcarbamothioyl)-2-methylbenzamide
CID 3555410
N-[[2-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]carbamothioyl]-5-(4-chlorophenyl)furan-2-carboxamide
CID 4627710
N,5-bis(4-chlorophenyl)furan-2-carboxamide
CID 781867
5-(4-chlorophenyl)-N-[(2-methyltetrazol-5-yl)carbamothioyl]furan-2-carboxamide
CID 17334481
5-(4-chlorophenyl)-N-[(6-hydroxynaphthalen-1-yl)carbamothioyl]furan-2-carboxamide
CID 4262761
N-[[4-(1,3-benzothiazol-2-yl)-3-chlorophenyl]carbamothioyl]-5-(4-bromophenyl)furan-2-carboxamide
CID 17316302
5-(4-chlorophenyl)-N-(3,4-difluorophenyl)furan-2-carboxamide
CID 18208546

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-N-(9H-fluoren-2-ylcarbamothioyl)furan-2-carboxamide?
The IUPAC name of 5-(4-chlorophenyl)-N-(9H-fluoren-2-ylcarbamothioyl)furan-2-carboxamide (CID 3831925) is 5-(4-chlorophenyl)-N-(9H-fluoren-2-ylcarbamothioyl)furan-2-carboxamide.
What is the SMILES notation for 5-(4-chlorophenyl)-N-(9H-fluoren-2-ylcarbamothioyl)furan-2-carboxamide?
The canonical SMILES for 5-(4-chlorophenyl)-N-(9H-fluoren-2-ylcarbamothioyl)furan-2-carboxamide is O=C(NC(=S)Nc1ccc2c(c1)Cc1ccccc1-2)c1ccc(-c2ccc(Cl)cc2)o1.
What is the InChIKey of 5-(4-chlorophenyl)-N-(9H-fluoren-2-ylcarbamothioyl)furan-2-carboxamide?
The InChIKey is JJLPGWRJJWPPAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17ClN2O2S/c26-18-7-5-15(6-8-18)22-11-12-23(30-22)24(29)28-25(31)27-19-9-10-21-17(14-19)13-16-3-1-2-4-20(16)21/h1-12,14H,13H2,(H2,27,28,29,31).
What are the key properties of 5-(4-chlorophenyl)-N-(9H-fluoren-2-ylcarbamothioyl)furan-2-carboxamide?
5-(4-chlorophenyl)-N-(9H-fluoren-2-ylcarbamothioyl)furan-2-carboxamide has a molecular weight of 444.94 g/mol, XLogP of 6.30, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-N-(9H-fluoren-2-ylcarbamothioyl)furan-2-carboxamide is sourced from PubChem (CID 3831925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).