N-[(3-methoxy-4-propoxyphenyl)methylcarbamothioyl]-2-naphthalen-1-ylacetamide

C24H26N2O3S — CID 54777169

IUPACN-[(3-methoxy-4-propoxyphenyl)methylcarbamothioyl]-2-naphthalen-1-ylacetamide
SMILESCCCOc1ccc(CNC(=S)NC(=O)Cc2cccc3ccccc23)cc1OC
InChIInChI=1S/C24H26N2O3S/c1-3-13-29-21-12-11-17(14-22(21)28-2)16-25-24(30)26-23(27)15-19-9-6-8-18-7-4-5-10-20(18)19/h4-12,14H,3,13,15-16H2,1-2H3,(H2,25,26,27,30)
InChIKeyVNNJSUAXUVKHSI-UHFFFAOYSA-N
MW422.55 g/mol
LogP4.37
Rot. Bonds8

About N-[(3-methoxy-4-propoxyphenyl)methylcarbamothioyl]-2-naphthalen-1-ylacetamide

N-[(3-methoxy-4-propoxyphenyl)methylcarbamothioyl]-2-naphthalen-1-ylacetamide (PubChem CID 54777169) has the molecular formula C24H26N2O3S and a molecular weight of 422.55 g/mol. Its IUPAC name is N-[(3-methoxy-4-propoxyphenyl)methylcarbamothioyl]-2-naphthalen-1-ylacetamide.

Molecular Properties

Compound NameN-[(3-methoxy-4-propoxyphenyl)methylcarbamothioyl]-2-naphthalen-1-ylacetamide
PubChem CID54777169
Molecular FormulaC24H26N2O3S
Molecular Weight422.55 g/mol
Exact Mass422.17
IUPAC NameN-[(3-methoxy-4-propoxyphenyl)methylcarbamothioyl]-2-naphthalen-1-ylacetamide
SMILESCCCOc1ccc(CNC(=S)NC(=O)Cc2cccc3ccccc23)cc1OC
InChIInChI=1S/C24H26N2O3S/c1-3-13-29-21-12-11-17(14-22(21)28-2)16-25-24(30)26-23(27)15-19-9-6-8-18-7-4-5-10-20(18)19/h4-12,14H,3,13,15-16H2,1-2H3,(H2,25,26,27,30)
InChIKeyVNNJSUAXUVKHSI-UHFFFAOYSA-N
XLogP4.37
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.55
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[(3-methoxy-4-propoxyphenyl)methylcarbamothioyl]-2-naphthalen-1-ylacetamide 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-[(3-methoxy-4-propoxyphenyl)methylcarbamothioyl]tetradecanamide
CID 54791036
2-cyclopentyl-N-[(3-methoxy-4-propoxyphenyl)methylcarbamothioyl]acetamide
CID 54786678
4-(2,4-dichlorophenoxy)-N-[(3-methoxy-4-propoxyphenyl)methylcarbamothioyl]butanamide
CID 54777247
N-[(4-butoxy-3-methoxyphenyl)methyl]-2-(2-methylphenyl)acetamide
CID 39971234
N-(benzylcarbamothioyl)-2-naphthalen-1-ylacetamide
CID 920719
N-[(3-methoxy-4-propoxyphenyl)methylcarbamothioyl]-3-(3-methylbutoxy)benzamide
CID 54777242
4-[[3-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylamino]-4-oxobutanoic acid
CID 22680860
4-hexoxy-N-[(3-methoxy-4-propoxyphenyl)methylcarbamothioyl]benzamide
CID 54777257
3-iodo-N-[(3-methoxy-4-propoxyphenyl)methylcarbamothioyl]-4-methylbenzamide
CID 54777175
2-bromo-N-[(4-butoxy-3-methoxyphenyl)methyl]acetamide
CID 112547109
2-chloro-N-[(4-methoxy-3-propoxyphenyl)methyl]acetamide
CID 82110117
N-[(3-methoxy-4-propoxyphenyl)methyl]-2-phenoxybutanamide
CID 54776981

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxy-4-propoxyphenyl)methylcarbamothioyl]-2-naphthalen-1-ylacetamide?
The IUPAC name of N-[(3-methoxy-4-propoxyphenyl)methylcarbamothioyl]-2-naphthalen-1-ylacetamide (CID 54777169) is N-[(3-methoxy-4-propoxyphenyl)methylcarbamothioyl]-2-naphthalen-1-ylacetamide.
What is the SMILES notation for N-[(3-methoxy-4-propoxyphenyl)methylcarbamothioyl]-2-naphthalen-1-ylacetamide?
The canonical SMILES for N-[(3-methoxy-4-propoxyphenyl)methylcarbamothioyl]-2-naphthalen-1-ylacetamide is CCCOc1ccc(CNC(=S)NC(=O)Cc2cccc3ccccc23)cc1OC.
What is the InChIKey of N-[(3-methoxy-4-propoxyphenyl)methylcarbamothioyl]-2-naphthalen-1-ylacetamide?
The InChIKey is VNNJSUAXUVKHSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O3S/c1-3-13-29-21-12-11-17(14-22(21)28-2)16-25-24(30)26-23(27)15-19-9-6-8-18-7-4-5-10-20(18)19/h4-12,14H,3,13,15-16H2,1-2H3,(H2,25,26,27,30).
What are the key properties of N-[(3-methoxy-4-propoxyphenyl)methylcarbamothioyl]-2-naphthalen-1-ylacetamide?
N-[(3-methoxy-4-propoxyphenyl)methylcarbamothioyl]-2-naphthalen-1-ylacetamide has a molecular weight of 422.55 g/mol, XLogP of 4.37, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxy-4-propoxyphenyl)methylcarbamothioyl]-2-naphthalen-1-ylacetamide is sourced from PubChem (CID 54777169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).