N-[[2-(2-methylphenyl)phenyl]carbamothioyl]benzamide

C21H18N2OS — CID 15175518

IUPACN-[[2-(2-methylphenyl)phenyl]carbamothioyl]benzamide
SMILESCc1ccccc1-c1ccccc1NC(=S)NC(=O)c1ccccc1
InChIInChI=1S/C21H18N2OS/c1-15-9-5-6-12-17(15)18-13-7-8-14-19(18)22-21(25)23-20(24)16-10-3-2-4-11-16/h2-14H,1H3,(H2,22,23,24,25)
InChIKeyIGQKERXPNFOPDN-UHFFFAOYSA-N
MW346.46 g/mol
LogP4.79
Rot. Bonds3

About N-[[2-(2-methylphenyl)phenyl]carbamothioyl]benzamide

N-[[2-(2-methylphenyl)phenyl]carbamothioyl]benzamide (PubChem CID 15175518) has the molecular formula C21H18N2OS and a molecular weight of 346.46 g/mol. Its IUPAC name is N-[[2-(2-methylphenyl)phenyl]carbamothioyl]benzamide.

Molecular Properties

Compound NameN-[[2-(2-methylphenyl)phenyl]carbamothioyl]benzamide
PubChem CID15175518
Molecular FormulaC21H18N2OS
Molecular Weight346.46 g/mol
Exact Mass346.11
IUPAC NameN-[[2-(2-methylphenyl)phenyl]carbamothioyl]benzamide
SMILESCc1ccccc1-c1ccccc1NC(=S)NC(=O)c1ccccc1
InChIInChI=1S/C21H18N2OS/c1-15-9-5-6-12-17(15)18-13-7-8-14-19(18)22-21(25)23-20(24)16-10-3-2-4-11-16/h2-14H,1H3,(H2,22,23,24,25)
InChIKeyIGQKERXPNFOPDN-UHFFFAOYSA-N
XLogP4.79
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.46
LogP ≤ 54.79
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

[2-(2-methylphenyl)phenyl]thiourea
CID 15175535
N-[(2,5-dimethyl-4-pyridinyl)carbamothioyl]benzamide
CID 163254012
5-[2-[(4-methylbenzoyl)carbamothioylamino]phenyl]furan-2-carboxylic acid
CID 91688353
N-[(4-amino-2,3-dimethylphenyl)carbamothioyl]benzamide
CID 174769046
N-[[2-(trifluoromethyl)phenyl]carbamothioyl]benzamide
CID 3410064
[2-(benzoylcarbamothioylamino)-4-methylphenyl]azanium
CID 142919985
methyl 4-[(2,3-dimethylphenyl)carbamothioylcarbamoyl]benzoate
CID 17178529
N-[4-(benzoylcarbamothioylamino)-2-methylphenyl]benzamide
CID 3311772
N-[(6-methyl-1,3-benzodioxol-5-yl)carbamothioyl]benzamide
CID 144672368
N-[(4,5-dimethyl-2-nitrophenyl)carbamothioyl]benzamide
CID 2940908
N-[(2-hydroxy-3,5-dimethylphenyl)carbamothioyl]-4-phenylbenzamide
CID 1344932
N-[[3-(1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]benzamide
CID 1018550

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-methylphenyl)phenyl]carbamothioyl]benzamide?
The IUPAC name of N-[[2-(2-methylphenyl)phenyl]carbamothioyl]benzamide (CID 15175518) is N-[[2-(2-methylphenyl)phenyl]carbamothioyl]benzamide.
What is the SMILES notation for N-[[2-(2-methylphenyl)phenyl]carbamothioyl]benzamide?
The canonical SMILES for N-[[2-(2-methylphenyl)phenyl]carbamothioyl]benzamide is Cc1ccccc1-c1ccccc1NC(=S)NC(=O)c1ccccc1.
What is the InChIKey of N-[[2-(2-methylphenyl)phenyl]carbamothioyl]benzamide?
The InChIKey is IGQKERXPNFOPDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2OS/c1-15-9-5-6-12-17(15)18-13-7-8-14-19(18)22-21(25)23-20(24)16-10-3-2-4-11-16/h2-14H,1H3,(H2,22,23,24,25).
What are the key properties of N-[[2-(2-methylphenyl)phenyl]carbamothioyl]benzamide?
N-[[2-(2-methylphenyl)phenyl]carbamothioyl]benzamide has a molecular weight of 346.46 g/mol, XLogP of 4.79, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-methylphenyl)phenyl]carbamothioyl]benzamide is sourced from PubChem (CID 15175518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).