N-(9H-fluoren-2-ylcarbamothioyl)-2-methylbenzamide

C22H18N2OS — CID 3555410

IUPACN-(9H-fluoren-2-ylcarbamothioyl)-2-methylbenzamide
SMILESCc1ccccc1C(=O)NC(=S)Nc1ccc2c(c1)Cc1ccccc1-2
InChIInChI=1S/C22H18N2OS/c1-14-6-2-4-8-18(14)21(25)24-22(26)23-17-10-11-20-16(13-17)12-15-7-3-5-9-19(15)20/h2-11,13H,12H2,1H3,(H2,23,24,25,26)
InChIKeyGZNPFQLLUPEYCO-UHFFFAOYSA-N
MW358.47 g/mol
LogP4.69
Rot. Bonds2

About N-(9H-fluoren-2-ylcarbamothioyl)-2-methylbenzamide

N-(9H-fluoren-2-ylcarbamothioyl)-2-methylbenzamide (PubChem CID 3555410) has the molecular formula C22H18N2OS and a molecular weight of 358.47 g/mol. Its IUPAC name is N-(9H-fluoren-2-ylcarbamothioyl)-2-methylbenzamide.

Molecular Properties

Compound NameN-(9H-fluoren-2-ylcarbamothioyl)-2-methylbenzamide
PubChem CID3555410
Molecular FormulaC22H18N2OS
Molecular Weight358.47 g/mol
Exact Mass358.11
IUPAC NameN-(9H-fluoren-2-ylcarbamothioyl)-2-methylbenzamide
SMILESCc1ccccc1C(=O)NC(=S)Nc1ccc2c(c1)Cc1ccccc1-2
InChIInChI=1S/C22H18N2OS/c1-14-6-2-4-8-18(14)21(25)24-22(26)23-17-10-11-20-16(13-17)12-15-7-3-5-9-19(15)20/h2-11,13H,12H2,1H3,(H2,23,24,25,26)
InChIKeyGZNPFQLLUPEYCO-UHFFFAOYSA-N
XLogP4.69
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.47
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(9H-fluoren-2-ylcarbamothioyl)acetamide
CID 17099951
N-(9H-fluoren-2-yl)-2-methoxy-3-methylbenzamide
CID 17102504
N-[(3-chloro-4-fluorophenyl)carbamothioyl]-2-methylbenzamide
CID 886248
N-[4-(acetylcarbamothioylamino)phenyl]-2-methylbenzamide
CID 961064
2-methyl-N-[[4-(pyridin-4-ylmethyl)phenyl]carbamothioyl]benzamide
CID 1139481
N-[[3-methoxy-4-[4-(trifluoromethyl)phenyl]phenyl]carbamothioyl]-2-methylbenzamide
CID 134109537
5-(4-chlorophenyl)-N-(9H-fluoren-2-ylcarbamothioyl)furan-2-carboxamide
CID 3831925
dimethyl 5-[(2-methylbenzoyl)carbamothioylamino]benzene-1,3-dicarboxylate
CID 4941786
2-methyl-N-[(4-methylsulfonylphenyl)carbamothioyl]benzamide
CID 89089793
N-[[2-[(3,4-dimethylphenyl)carbamoyl]phenyl]carbamothioyl]-2-methylbenzamide
CID 4944581
N-(9H-fluoren-2-yl)-3-methylfuran-2-carboxamide
CID 38708919
3-chloro-N-(9H-fluoren-2-yl)-4-methylbenzamide
CID 806714

Frequently Asked Questions

What is the IUPAC name of N-(9H-fluoren-2-ylcarbamothioyl)-2-methylbenzamide?
The IUPAC name of N-(9H-fluoren-2-ylcarbamothioyl)-2-methylbenzamide (CID 3555410) is N-(9H-fluoren-2-ylcarbamothioyl)-2-methylbenzamide.
What is the SMILES notation for N-(9H-fluoren-2-ylcarbamothioyl)-2-methylbenzamide?
The canonical SMILES for N-(9H-fluoren-2-ylcarbamothioyl)-2-methylbenzamide is Cc1ccccc1C(=O)NC(=S)Nc1ccc2c(c1)Cc1ccccc1-2.
What is the InChIKey of N-(9H-fluoren-2-ylcarbamothioyl)-2-methylbenzamide?
The InChIKey is GZNPFQLLUPEYCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2OS/c1-14-6-2-4-8-18(14)21(25)24-22(26)23-17-10-11-20-16(13-17)12-15-7-3-5-9-19(15)20/h2-11,13H,12H2,1H3,(H2,23,24,25,26).
What are the key properties of N-(9H-fluoren-2-ylcarbamothioyl)-2-methylbenzamide?
N-(9H-fluoren-2-ylcarbamothioyl)-2-methylbenzamide has a molecular weight of 358.47 g/mol, XLogP of 4.69, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9H-fluoren-2-ylcarbamothioyl)-2-methylbenzamide is sourced from PubChem (CID 3555410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).