2-methyl-N-[3-[[2-(2-methylphenyl)acetyl]carbamothioylamino]phenyl]propanamide

C20H23N3O2S — CID 26164125

IUPAC2-methyl-N-[3-[[2-(2-methylphenyl)acetyl]carbamothioylamino]phenyl]propanamide
SMILESCc1ccccc1CC(=O)NC(=S)Nc1cccc(NC(=O)C(C)C)c1
InChIInChI=1S/C20H23N3O2S/c1-13(2)19(25)21-16-9-6-10-17(12-16)22-20(26)23-18(24)11-15-8-5-4-7-14(15)3/h4-10,12-13H,11H2,1-3H3,(H,21,25)(H2,22,23,24,26)
InChIKeyGFCBSKRJJLLKOS-UHFFFAOYSA-N
MW369.49 g/mol
LogP3.65
Rot. Bonds5

About 2-methyl-N-[3-[[2-(2-methylphenyl)acetyl]carbamothioylamino]phenyl]propanamide

2-methyl-N-[3-[[2-(2-methylphenyl)acetyl]carbamothioylamino]phenyl]propanamide (PubChem CID 26164125) has the molecular formula C20H23N3O2S and a molecular weight of 369.49 g/mol. Its IUPAC name is 2-methyl-N-[3-[[2-(2-methylphenyl)acetyl]carbamothioylamino]phenyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[3-[[2-(2-methylphenyl)acetyl]carbamothioylamino]phenyl]propanamide
PubChem CID26164125
Molecular FormulaC20H23N3O2S
Molecular Weight369.49 g/mol
Exact Mass369.15
IUPAC Name2-methyl-N-[3-[[2-(2-methylphenyl)acetyl]carbamothioylamino]phenyl]propanamide
SMILESCc1ccccc1CC(=O)NC(=S)Nc1cccc(NC(=O)C(C)C)c1
InChIInChI=1S/C20H23N3O2S/c1-13(2)19(25)21-16-9-6-10-17(12-16)22-20(26)23-18(24)11-15-8-5-4-7-14(15)3/h4-10,12-13H,11H2,1-3H3,(H,21,25)(H2,22,23,24,26)
InChIKeyGFCBSKRJJLLKOS-UHFFFAOYSA-N
XLogP3.65
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 53.65
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

3-[[2-(2-methylphenyl)acetyl]carbamothioylamino]-N-propan-2-ylbenzamide
CID 26164149
4-tert-butyl-N-[3-[[2-(2-methylphenyl)acetyl]carbamothioylamino]phenyl]benzamide
CID 26164219
N-[(4-iodophenyl)carbamothioyl]-2-(2-methylphenyl)acetamide
CID 26163737
N-ethyl-3-[[2-(2-methylphenyl)acetyl]carbamothioylamino]benzamide
CID 26164210
N,N-diethyl-3-[[2-(2-methylphenyl)acetyl]carbamothioylamino]benzamide
CID 26164133
N-[3-[3-(2-chlorophenyl)propanoylcarbamothioylamino]phenyl]-2-methylpropanamide
CID 17189419
2-methyl-N-[4-[(2-naphthalen-1-ylacetyl)carbamothioylamino]phenyl]propanamide
CID 17188042
2-(2-methylphenyl)-N-[(2,4,6-trimethylphenyl)carbamothioyl]acetamide
CID 26163745
2-methyl-N-[[3-(propanoylamino)phenyl]carbamothioyl]propanamide
CID 17099676
N-(3-methoxypropyl)-3-[[2-(2-methylphenyl)acetyl]carbamothioylamino]benzamide
CID 26164239
N-[(2,6-dichlorophenyl)carbamothioyl]-2-(2-methylphenyl)acetamide
CID 54786198
4-[[2-(2-methylphenyl)acetyl]carbamothioylamino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 28639647

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[3-[[2-(2-methylphenyl)acetyl]carbamothioylamino]phenyl]propanamide?
The IUPAC name of 2-methyl-N-[3-[[2-(2-methylphenyl)acetyl]carbamothioylamino]phenyl]propanamide (CID 26164125) is 2-methyl-N-[3-[[2-(2-methylphenyl)acetyl]carbamothioylamino]phenyl]propanamide.
What is the SMILES notation for 2-methyl-N-[3-[[2-(2-methylphenyl)acetyl]carbamothioylamino]phenyl]propanamide?
The canonical SMILES for 2-methyl-N-[3-[[2-(2-methylphenyl)acetyl]carbamothioylamino]phenyl]propanamide is Cc1ccccc1CC(=O)NC(=S)Nc1cccc(NC(=O)C(C)C)c1.
What is the InChIKey of 2-methyl-N-[3-[[2-(2-methylphenyl)acetyl]carbamothioylamino]phenyl]propanamide?
The InChIKey is GFCBSKRJJLLKOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2S/c1-13(2)19(25)21-16-9-6-10-17(12-16)22-20(26)23-18(24)11-15-8-5-4-7-14(15)3/h4-10,12-13H,11H2,1-3H3,(H,21,25)(H2,22,23,24,26).
What are the key properties of 2-methyl-N-[3-[[2-(2-methylphenyl)acetyl]carbamothioylamino]phenyl]propanamide?
2-methyl-N-[3-[[2-(2-methylphenyl)acetyl]carbamothioylamino]phenyl]propanamide has a molecular weight of 369.49 g/mol, XLogP of 3.65, 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-[[2-(2-methylphenyl)acetyl]carbamothioylamino]phenyl]propanamide is sourced from PubChem (CID 26164125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).