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

C23H23N3O2S — CID 17188042

IUPAC2-methyl-N-[4-[(2-naphthalen-1-ylacetyl)carbamothioylamino]phenyl]propanamide
SMILESCC(C)C(=O)Nc1ccc(NC(=S)NC(=O)Cc2cccc3ccccc23)cc1
InChIInChI=1S/C23H23N3O2S/c1-15(2)22(28)24-18-10-12-19(13-11-18)25-23(29)26-21(27)14-17-8-5-7-16-6-3-4-9-20(16)17/h3-13,15H,14H2,1-2H3,(H,24,28)(H2,25,26,27,29)
InChIKeyZPJFUWHZGSGBIN-UHFFFAOYSA-N
MW405.52 g/mol
LogP4.49
Rot. Bonds5

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

2-methyl-N-[4-[(2-naphthalen-1-ylacetyl)carbamothioylamino]phenyl]propanamide (PubChem CID 17188042) has the molecular formula C23H23N3O2S and a molecular weight of 405.52 g/mol. Its IUPAC name is 2-methyl-N-[4-[(2-naphthalen-1-ylacetyl)carbamothioylamino]phenyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[4-[(2-naphthalen-1-ylacetyl)carbamothioylamino]phenyl]propanamide
PubChem CID17188042
Molecular FormulaC23H23N3O2S
Molecular Weight405.52 g/mol
Exact Mass405.15
IUPAC Name2-methyl-N-[4-[(2-naphthalen-1-ylacetyl)carbamothioylamino]phenyl]propanamide
SMILESCC(C)C(=O)Nc1ccc(NC(=S)NC(=O)Cc2cccc3ccccc23)cc1
InChIInChI=1S/C23H23N3O2S/c1-15(2)22(28)24-18-10-12-19(13-11-18)25-23(29)26-21(27)14-17-8-5-7-16-6-3-4-9-20(16)17/h3-13,15H,14H2,1-2H3,(H,24,28)(H2,25,26,27,29)
InChIKeyZPJFUWHZGSGBIN-UHFFFAOYSA-N
XLogP4.49
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.52
LogP ≤ 54.49
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

N-[4-[(2-naphthalen-1-ylacetyl)carbamothioylamino]phenyl]propanamide
CID 17205199
N-methyl-4-[(2-naphthalen-1-ylacetyl)carbamothioylamino]benzamide
CID 28642901
N,N-dimethyl-4-[(2-naphthalen-1-ylacetyl)carbamothioylamino]benzamide
CID 17231499
N-[3-[(2-naphthalen-1-ylacetyl)carbamothioylamino]phenyl]butanamide
CID 17187698
2-methyl-N-[3-[[2-(2-methylphenyl)acetyl]carbamothioylamino]phenyl]propanamide
CID 26164125
N-[(3-methylsulfanylphenyl)carbamothioyl]-2-naphthalen-1-ylacetamide
CID 1302090
N-(3-methoxypropyl)-4-[(2-naphthalen-1-ylacetyl)carbamothioylamino]benzamide
CID 17205303
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
N-[4-[3-(2-chlorophenyl)propanoylcarbamothioylamino]phenyl]-2-methylpropanamide
CID 17188117
1-(4-fluorophenyl)-3-[(2-naphthalen-1-ylacetyl)amino]thiourea
CID 9469486
N-(benzylcarbamothioyl)-2-naphthalen-1-ylacetamide
CID 920719

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[4-[(2-naphthalen-1-ylacetyl)carbamothioylamino]phenyl]propanamide?
The IUPAC name of 2-methyl-N-[4-[(2-naphthalen-1-ylacetyl)carbamothioylamino]phenyl]propanamide (CID 17188042) is 2-methyl-N-[4-[(2-naphthalen-1-ylacetyl)carbamothioylamino]phenyl]propanamide.
What is the SMILES notation for 2-methyl-N-[4-[(2-naphthalen-1-ylacetyl)carbamothioylamino]phenyl]propanamide?
The canonical SMILES for 2-methyl-N-[4-[(2-naphthalen-1-ylacetyl)carbamothioylamino]phenyl]propanamide is CC(C)C(=O)Nc1ccc(NC(=S)NC(=O)Cc2cccc3ccccc23)cc1.
What is the InChIKey of 2-methyl-N-[4-[(2-naphthalen-1-ylacetyl)carbamothioylamino]phenyl]propanamide?
The InChIKey is ZPJFUWHZGSGBIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O2S/c1-15(2)22(28)24-18-10-12-19(13-11-18)25-23(29)26-21(27)14-17-8-5-7-16-6-3-4-9-20(16)17/h3-13,15H,14H2,1-2H3,(H,24,28)(H2,25,26,27,29).
What are the key properties of 2-methyl-N-[4-[(2-naphthalen-1-ylacetyl)carbamothioylamino]phenyl]propanamide?
2-methyl-N-[4-[(2-naphthalen-1-ylacetyl)carbamothioylamino]phenyl]propanamide has a molecular weight of 405.52 g/mol, XLogP of 4.49, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[4-[(2-naphthalen-1-ylacetyl)carbamothioylamino]phenyl]propanamide is sourced from PubChem (CID 17188042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).