2-(4-methoxyphenyl)-N-[[3-(2-phenylethoxy)phenyl]carbamothioyl]acetamide

C24H24N2O3S — CID 17142296

IUPAC2-(4-methoxyphenyl)-N-[[3-(2-phenylethoxy)phenyl]carbamothioyl]acetamide
SMILESCOc1ccc(CC(=O)NC(=S)Nc2cccc(OCCc3ccccc3)c2)cc1
InChIInChI=1S/C24H24N2O3S/c1-28-21-12-10-19(11-13-21)16-23(27)26-24(30)25-20-8-5-9-22(17-20)29-15-14-18-6-3-2-4-7-18/h2-13,17H,14-16H2,1H3,(H2,25,26,27,30)
InChIKeyXJRXUCUNAPJLLE-UHFFFAOYSA-N
MW420.53 g/mol
LogP4.37
Rot. Bonds8

About 2-(4-methoxyphenyl)-N-[[3-(2-phenylethoxy)phenyl]carbamothioyl]acetamide

2-(4-methoxyphenyl)-N-[[3-(2-phenylethoxy)phenyl]carbamothioyl]acetamide (PubChem CID 17142296) has the molecular formula C24H24N2O3S and a molecular weight of 420.53 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-N-[[3-(2-phenylethoxy)phenyl]carbamothioyl]acetamide.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-N-[[3-(2-phenylethoxy)phenyl]carbamothioyl]acetamide
PubChem CID17142296
Molecular FormulaC24H24N2O3S
Molecular Weight420.53 g/mol
Exact Mass420.15
IUPAC Name2-(4-methoxyphenyl)-N-[[3-(2-phenylethoxy)phenyl]carbamothioyl]acetamide
SMILESCOc1ccc(CC(=O)NC(=S)Nc2cccc(OCCc3ccccc3)c2)cc1
InChIInChI=1S/C24H24N2O3S/c1-28-21-12-10-19(11-13-21)16-23(27)26-24(30)25-20-8-5-9-22(17-20)29-15-14-18-6-3-2-4-7-18/h2-13,17H,14-16H2,1H3,(H2,25,26,27,30)
InChIKeyXJRXUCUNAPJLLE-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 ≤ 500420.53
LogP ≤ 54.37
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-phenyl-N-[[3-(2-phenylethoxy)phenyl]carbamothioyl]acetamide
CID 17142302
N-[(3-hydroxyphenyl)carbamothioyl]-2-(4-methoxyphenyl)acetamide
CID 4939160
2,2,2-trifluoro-N-[[3-(2-phenylethoxy)phenyl]carbamothioyl]acetamide
CID 174481521
5-methyl-N-[[3-(2-phenylethoxy)phenyl]carbamothioyl]-1,2-oxazole-3-carboxamide
CID 10452442
3-(2-phenoxyethoxy)-N-[[3-(2-phenylethoxy)phenyl]carbamothioyl]benzamide
CID 17142352
methyl 3-oxo-3-[3-(2-phenylethoxy)anilino]propanoate
CID 28638067
2-phenylethyl 4-oxo-4-[[3-(3-phenylpropoxy)phenyl]carbamothioylamino]butanoate
CID 17133389
3-(2-phenylethoxy)-N-[[3-(3-phenylpropoxy)phenyl]carbamothioyl]benzamide
CID 17134789
(E)-3-phenyl-N-[[3-(2-phenylethoxy)phenyl]carbamothioyl]prop-2-enamide
CID 17142289
2-(4-methoxyphenyl)-N-(3-propoxyphenyl)acetamide
CID 17096682
2-(4-methoxyphenyl)-N-[[2-(2-phenoxyethoxy)phenyl]carbamothioyl]acetamide
CID 17131022
N-[[3-(2-phenoxyethoxy)phenyl]carbamothioyl]-2-(2-phenylethoxy)benzamide
CID 19628562

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-N-[[3-(2-phenylethoxy)phenyl]carbamothioyl]acetamide?
The IUPAC name of 2-(4-methoxyphenyl)-N-[[3-(2-phenylethoxy)phenyl]carbamothioyl]acetamide (CID 17142296) is 2-(4-methoxyphenyl)-N-[[3-(2-phenylethoxy)phenyl]carbamothioyl]acetamide.
What is the SMILES notation for 2-(4-methoxyphenyl)-N-[[3-(2-phenylethoxy)phenyl]carbamothioyl]acetamide?
The canonical SMILES for 2-(4-methoxyphenyl)-N-[[3-(2-phenylethoxy)phenyl]carbamothioyl]acetamide is COc1ccc(CC(=O)NC(=S)Nc2cccc(OCCc3ccccc3)c2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-N-[[3-(2-phenylethoxy)phenyl]carbamothioyl]acetamide?
The InChIKey is XJRXUCUNAPJLLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O3S/c1-28-21-12-10-19(11-13-21)16-23(27)26-24(30)25-20-8-5-9-22(17-20)29-15-14-18-6-3-2-4-7-18/h2-13,17H,14-16H2,1H3,(H2,25,26,27,30).
What are the key properties of 2-(4-methoxyphenyl)-N-[[3-(2-phenylethoxy)phenyl]carbamothioyl]acetamide?
2-(4-methoxyphenyl)-N-[[3-(2-phenylethoxy)phenyl]carbamothioyl]acetamide has a molecular weight of 420.53 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 2-(4-methoxyphenyl)-N-[[3-(2-phenylethoxy)phenyl]carbamothioyl]acetamide is sourced from PubChem (CID 17142296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).