2-(4-methoxyphenoxy)-N-[(4-methylphenyl)carbamothioyl]acetamide

C17H18N2O3S — CID 922748

IUPAC2-(4-methoxyphenoxy)-N-[(4-methylphenyl)carbamothioyl]acetamide
SMILESCOc1ccc(OCC(=O)NC(=S)Nc2ccc(C)cc2)cc1
InChIInChI=1S/C17H18N2O3S/c1-12-3-5-13(6-4-12)18-17(23)19-16(20)11-22-15-9-7-14(21-2)8-10-15/h3-10H,11H2,1-2H3,(H2,18,19,20,23)
InChIKeyGQKIPSHWCMNOGN-UHFFFAOYSA-N
MW330.41 g/mol
LogP2.90
Rot. Bonds5

About 2-(4-methoxyphenoxy)-N-[(4-methylphenyl)carbamothioyl]acetamide

2-(4-methoxyphenoxy)-N-[(4-methylphenyl)carbamothioyl]acetamide (PubChem CID 922748) has the molecular formula C17H18N2O3S and a molecular weight of 330.41 g/mol. Its IUPAC name is 2-(4-methoxyphenoxy)-N-[(4-methylphenyl)carbamothioyl]acetamide.

Molecular Properties

Compound Name2-(4-methoxyphenoxy)-N-[(4-methylphenyl)carbamothioyl]acetamide
PubChem CID922748
Molecular FormulaC17H18N2O3S
Molecular Weight330.41 g/mol
Exact Mass330.10
IUPAC Name2-(4-methoxyphenoxy)-N-[(4-methylphenyl)carbamothioyl]acetamide
SMILESCOc1ccc(OCC(=O)NC(=S)Nc2ccc(C)cc2)cc1
InChIInChI=1S/C17H18N2O3S/c1-12-3-5-13(6-4-12)18-17(23)19-16(20)11-22-15-9-7-14(21-2)8-10-15/h3-10H,11H2,1-2H3,(H2,18,19,20,23)
InChIKeyGQKIPSHWCMNOGN-UHFFFAOYSA-N
XLogP2.90
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-methylphenoxy)-N-[(4-pyrrolidin-1-ylphenyl)carbamothioyl]acetamide
CID 23740687
N-[(2,5-dimethylphenyl)carbamothioyl]-2-(4-methoxyphenoxy)acetamide
CID 922742
2-(4-methoxyphenoxy)-N-[(2,4,6-trimethylphenyl)carbamothioyl]acetamide
CID 5162446
2-(4-methylphenoxy)-N-(4-methylphenyl)acetamide
CID 681889
N-[(4-acetamidophenyl)carbamothioyl]-2-(4-bromophenoxy)acetamide
CID 1016462
N-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]carbamothioyl]-2-(4-methylphenoxy)acetamide
CID 4634342
methyl 4-[2-[2-[(4-methylphenyl)carbamothioyl]hydrazinyl]-2-oxoethoxy]benzoate
CID 4191885
N-[[4-(1,3-benzothiazol-2-yl)phenyl]carbamothioyl]-2-(4-methoxyphenoxy)acetamide
CID 1224431
2-(4-methylphenoxy)-N-[[4-(morpholin-4-ylmethyl)phenyl]carbamothioyl]acetamide
CID 3511248
N-[[4-[benzyl(methyl)sulfamoyl]phenyl]carbamothioyl]-2-(4-methylphenoxy)acetamide
CID 4634495
1-(4-fluorophenyl)-3-[[2-(4-methylphenoxy)acetyl]amino]thiourea
CID 968555
N-[(4-methylphenyl)carbamothioyl]-2-naphthalen-1-yloxyacetamide
CID 3388367

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenoxy)-N-[(4-methylphenyl)carbamothioyl]acetamide?
The IUPAC name of 2-(4-methoxyphenoxy)-N-[(4-methylphenyl)carbamothioyl]acetamide (CID 922748) is 2-(4-methoxyphenoxy)-N-[(4-methylphenyl)carbamothioyl]acetamide.
What is the SMILES notation for 2-(4-methoxyphenoxy)-N-[(4-methylphenyl)carbamothioyl]acetamide?
The canonical SMILES for 2-(4-methoxyphenoxy)-N-[(4-methylphenyl)carbamothioyl]acetamide is COc1ccc(OCC(=O)NC(=S)Nc2ccc(C)cc2)cc1.
What is the InChIKey of 2-(4-methoxyphenoxy)-N-[(4-methylphenyl)carbamothioyl]acetamide?
The InChIKey is GQKIPSHWCMNOGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3S/c1-12-3-5-13(6-4-12)18-17(23)19-16(20)11-22-15-9-7-14(21-2)8-10-15/h3-10H,11H2,1-2H3,(H2,18,19,20,23).
What are the key properties of 2-(4-methoxyphenoxy)-N-[(4-methylphenyl)carbamothioyl]acetamide?
2-(4-methoxyphenoxy)-N-[(4-methylphenyl)carbamothioyl]acetamide has a molecular weight of 330.41 g/mol, XLogP of 2.90, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenoxy)-N-[(4-methylphenyl)carbamothioyl]acetamide is sourced from PubChem (CID 922748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).