2-methyl-N-[[3-(1-phenylethylcarbamoyl)phenyl]carbamothioyl]benzamide

C24H23N3O2S — CID 43877997

IUPAC2-methyl-N-[[3-(1-phenylethylcarbamoyl)phenyl]carbamothioyl]benzamide
SMILESCc1ccccc1C(=O)NC(=S)Nc1cccc(C(=O)NC(C)c2ccccc2)c1
InChIInChI=1S/C24H23N3O2S/c1-16-9-6-7-14-21(16)23(29)27-24(30)26-20-13-8-12-19(15-20)22(28)25-17(2)18-10-4-3-5-11-18/h3-15,17H,1-2H3,(H,25,28)(H2,26,27,29,30)
InChIKeyRGIVWNLLDLIBOI-UHFFFAOYSA-N
MW417.53 g/mol
LogP4.61
Rot. Bonds5

About 2-methyl-N-[[3-(1-phenylethylcarbamoyl)phenyl]carbamothioyl]benzamide

2-methyl-N-[[3-(1-phenylethylcarbamoyl)phenyl]carbamothioyl]benzamide (PubChem CID 43877997) has the molecular formula C24H23N3O2S and a molecular weight of 417.53 g/mol. Its IUPAC name is 2-methyl-N-[[3-(1-phenylethylcarbamoyl)phenyl]carbamothioyl]benzamide.

Molecular Properties

Compound Name2-methyl-N-[[3-(1-phenylethylcarbamoyl)phenyl]carbamothioyl]benzamide
PubChem CID43877997
Molecular FormulaC24H23N3O2S
Molecular Weight417.53 g/mol
Exact Mass417.15
IUPAC Name2-methyl-N-[[3-(1-phenylethylcarbamoyl)phenyl]carbamothioyl]benzamide
SMILESCc1ccccc1C(=O)NC(=S)Nc1cccc(C(=O)NC(C)c2ccccc2)c1
InChIInChI=1S/C24H23N3O2S/c1-16-9-6-7-14-21(16)23(29)27-24(30)26-20-13-8-12-19(15-20)22(28)25-17(2)18-10-4-3-5-11-18/h3-15,17H,1-2H3,(H,25,28)(H2,26,27,29,30)
InChIKeyRGIVWNLLDLIBOI-UHFFFAOYSA-N
XLogP4.61
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.53
LogP ≤ 54.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-iodo-N-[[3-(1-phenylethylcarbamoyl)phenyl]carbamothioyl]benzamide
CID 43877970
3-(2-methylpropanoylcarbamothioylamino)-N-(1-phenylethyl)benzamide
CID 43878011
3,5-dichloro-N-[[3-(1-phenylethylcarbamoyl)phenyl]carbamothioyl]benzamide
CID 43878077
3-[[3-(2-phenoxyethoxy)benzoyl]carbamothioylamino]-N-(1-phenylethyl)benzamide
CID 43878045
3-iodo-4-methoxy-N-[[3-(1-phenylethylcarbamoyl)phenyl]carbamothioyl]benzamide
CID 43877983
ethyl 4-oxo-4-[[3-(1-phenylethylcarbamoyl)phenyl]carbamothioylamino]butanoate
CID 43878014
N-(1-phenylethyl)-3-(tetradecanoylcarbamothioylamino)benzamide
CID 54791327
3-(heptanoylcarbamothioylamino)-N-(1-phenylethyl)benzamide
CID 54789376
2-methyl-N-[3-(propan-2-ylcarbamoyl)phenyl]benzamide
CID 17197346
2-iodo-N-[3-(1-phenylethylcarbamoyl)phenyl]benzamide
CID 43877730
2-bromo-N-[[4-(1-phenylethylcarbamoyl)phenyl]carbamothioyl]benzamide
CID 43887932
2-methyl-N-[(1R)-1-phenylethyl]benzamide
CID 681346

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[3-(1-phenylethylcarbamoyl)phenyl]carbamothioyl]benzamide?
The IUPAC name of 2-methyl-N-[[3-(1-phenylethylcarbamoyl)phenyl]carbamothioyl]benzamide (CID 43877997) is 2-methyl-N-[[3-(1-phenylethylcarbamoyl)phenyl]carbamothioyl]benzamide.
What is the SMILES notation for 2-methyl-N-[[3-(1-phenylethylcarbamoyl)phenyl]carbamothioyl]benzamide?
The canonical SMILES for 2-methyl-N-[[3-(1-phenylethylcarbamoyl)phenyl]carbamothioyl]benzamide is Cc1ccccc1C(=O)NC(=S)Nc1cccc(C(=O)NC(C)c2ccccc2)c1.
What is the InChIKey of 2-methyl-N-[[3-(1-phenylethylcarbamoyl)phenyl]carbamothioyl]benzamide?
The InChIKey is RGIVWNLLDLIBOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O2S/c1-16-9-6-7-14-21(16)23(29)27-24(30)26-20-13-8-12-19(15-20)22(28)25-17(2)18-10-4-3-5-11-18/h3-15,17H,1-2H3,(H,25,28)(H2,26,27,29,30).
What are the key properties of 2-methyl-N-[[3-(1-phenylethylcarbamoyl)phenyl]carbamothioyl]benzamide?
2-methyl-N-[[3-(1-phenylethylcarbamoyl)phenyl]carbamothioyl]benzamide has a molecular weight of 417.53 g/mol, XLogP of 4.61, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[3-(1-phenylethylcarbamoyl)phenyl]carbamothioyl]benzamide is sourced from PubChem (CID 43877997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).