N-methyl-4-[(2-naphthalen-1-ylacetyl)carbamothioylamino]benzamide

C21H19N3O2S — CID 28642901

IUPACN-methyl-4-[(2-naphthalen-1-ylacetyl)carbamothioylamino]benzamide
SMILESCNC(=O)c1ccc(NC(=S)NC(=O)Cc2cccc3ccccc23)cc1
InChIInChI=1S/C21H19N3O2S/c1-22-20(26)15-9-11-17(12-10-15)23-21(27)24-19(25)13-16-7-4-6-14-5-2-3-8-18(14)16/h2-12H,13H2,1H3,(H,22,26)(H2,23,24,25,27)
InChIKeyBARHSSFCLNRFAM-UHFFFAOYSA-N
MW377.47 g/mol
LogP3.26
Rot. Bonds4

About N-methyl-4-[(2-naphthalen-1-ylacetyl)carbamothioylamino]benzamide

N-methyl-4-[(2-naphthalen-1-ylacetyl)carbamothioylamino]benzamide (PubChem CID 28642901) has the molecular formula C21H19N3O2S and a molecular weight of 377.47 g/mol. Its IUPAC name is N-methyl-4-[(2-naphthalen-1-ylacetyl)carbamothioylamino]benzamide.

Molecular Properties

Compound NameN-methyl-4-[(2-naphthalen-1-ylacetyl)carbamothioylamino]benzamide
PubChem CID28642901
Molecular FormulaC21H19N3O2S
Molecular Weight377.47 g/mol
Exact Mass377.12
IUPAC NameN-methyl-4-[(2-naphthalen-1-ylacetyl)carbamothioylamino]benzamide
SMILESCNC(=O)c1ccc(NC(=S)NC(=O)Cc2cccc3ccccc23)cc1
InChIInChI=1S/C21H19N3O2S/c1-22-20(26)15-9-11-17(12-10-15)23-21(27)24-19(25)13-16-7-4-6-14-5-2-3-8-18(14)16/h2-12H,13H2,1H3,(H,22,26)(H2,23,24,25,27)
InChIKeyBARHSSFCLNRFAM-UHFFFAOYSA-N
XLogP3.26
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 53.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-methyl-4-[(2-naphthalen-1-ylacetyl)carbamothioylamino]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-methyl-4-[(2-naphthalen-1-ylacetyl)amino]benzamide
CID 8700251
N,N-dimethyl-4-[(2-naphthalen-1-ylacetyl)carbamothioylamino]benzamide
CID 17231499
2-methyl-N-[4-[(2-naphthalen-1-ylacetyl)carbamothioylamino]phenyl]propanamide
CID 17188042
N-[4-[(2-naphthalen-1-ylacetyl)carbamothioylamino]phenyl]propanamide
CID 17205199
N-(3-methoxypropyl)-4-[(2-naphthalen-1-ylacetyl)carbamothioylamino]benzamide
CID 17205303
N-[3-[(2-naphthalen-1-ylacetyl)carbamothioylamino]phenyl]butanamide
CID 17187698
methyl 4-[[(2-naphthalen-1-ylacetyl)amino]carbamothioylcarbamoyl]benzoate
CID 17178736
N-[(3-methylsulfanylphenyl)carbamothioyl]-2-naphthalen-1-ylacetamide
CID 1302090
N-methyl-3-[(2-naphthalen-1-ylacetyl)amino]benzamide
CID 10914143
N-[[4-(4-methylpiperazin-1-yl)sulfonylphenyl]carbamothioyl]-2-naphthalen-1-ylacetamide
CID 4778586
N-[(2,3-dimethylphenyl)carbamothioyl]-2-naphthalen-1-ylacetamide
CID 4778596
4-tert-butyl-N-[4-[[2-(2-methylphenyl)acetyl]carbamothioylamino]phenyl]benzamide
CID 26164225

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[(2-naphthalen-1-ylacetyl)carbamothioylamino]benzamide?
The IUPAC name of N-methyl-4-[(2-naphthalen-1-ylacetyl)carbamothioylamino]benzamide (CID 28642901) is N-methyl-4-[(2-naphthalen-1-ylacetyl)carbamothioylamino]benzamide.
What is the SMILES notation for N-methyl-4-[(2-naphthalen-1-ylacetyl)carbamothioylamino]benzamide?
The canonical SMILES for N-methyl-4-[(2-naphthalen-1-ylacetyl)carbamothioylamino]benzamide is CNC(=O)c1ccc(NC(=S)NC(=O)Cc2cccc3ccccc23)cc1.
What is the InChIKey of N-methyl-4-[(2-naphthalen-1-ylacetyl)carbamothioylamino]benzamide?
The InChIKey is BARHSSFCLNRFAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O2S/c1-22-20(26)15-9-11-17(12-10-15)23-21(27)24-19(25)13-16-7-4-6-14-5-2-3-8-18(14)16/h2-12H,13H2,1H3,(H,22,26)(H2,23,24,25,27).
What are the key properties of N-methyl-4-[(2-naphthalen-1-ylacetyl)carbamothioylamino]benzamide?
N-methyl-4-[(2-naphthalen-1-ylacetyl)carbamothioylamino]benzamide has a molecular weight of 377.47 g/mol, XLogP of 3.26, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[(2-naphthalen-1-ylacetyl)carbamothioylamino]benzamide is sourced from PubChem (CID 28642901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).