N-(2,5-dimethoxyphenyl)-2-(2-phenylethylamino)-2-sulfanylideneacetamide

C18H20N2O3S — CID 2976645

IUPACN-(2,5-dimethoxyphenyl)-2-(2-phenylethylamino)-2-sulfanylideneacetamide
SMILESCOc1ccc(OC)c(NC(=O)C(=S)NCCc2ccccc2)c1
InChIInChI=1S/C18H20N2O3S/c1-22-14-8-9-16(23-2)15(12-14)20-17(21)18(24)19-11-10-13-6-4-3-5-7-13/h3-9,12H,10-11H2,1-2H3,(H,19,24)(H,20,21)
InChIKeyNLHATJVGWCVVQQ-UHFFFAOYSA-N
MW344.44 g/mol
LogP2.80
Rot. Bonds6

About N-(2,5-dimethoxyphenyl)-2-(2-phenylethylamino)-2-sulfanylideneacetamide

N-(2,5-dimethoxyphenyl)-2-(2-phenylethylamino)-2-sulfanylideneacetamide (PubChem CID 2976645) has the molecular formula C18H20N2O3S and a molecular weight of 344.44 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-2-(2-phenylethylamino)-2-sulfanylideneacetamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-2-(2-phenylethylamino)-2-sulfanylideneacetamide
PubChem CID2976645
Molecular FormulaC18H20N2O3S
Molecular Weight344.44 g/mol
Exact Mass344.12
IUPAC NameN-(2,5-dimethoxyphenyl)-2-(2-phenylethylamino)-2-sulfanylideneacetamide
SMILESCOc1ccc(OC)c(NC(=O)C(=S)NCCc2ccccc2)c1
InChIInChI=1S/C18H20N2O3S/c1-22-14-8-9-16(23-2)15(12-14)20-17(21)18(24)19-11-10-13-6-4-3-5-7-13/h3-9,12H,10-11H2,1-2H3,(H,19,24)(H,20,21)
InChIKeyNLHATJVGWCVVQQ-UHFFFAOYSA-N
XLogP2.80
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 52.80
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

N-(2,5-dimethoxyphenyl)-2,2-dimethyl-N'-(2-phenylethyl)propanediamide
CID 108963881
N-[2-(3-chlorophenyl)ethyl]-N'-(2,5-dimethoxyphenyl)oxamide
CID 86996000
1-(2,5-dimethoxyphenyl)-3-[2-(3-methoxyphenyl)ethyl]urea
CID 23880823
N'-(2,5-dimethoxyphenyl)-N-[2-(2-methoxyphenyl)ethyl]oxamide
CID 44995669
N'-(2,5-dimethoxyphenyl)-N-[2-(4-morpholin-4-ylphenyl)ethyl]oxamide
CID 16891638
N-(2,3-dimethylphenyl)-2-(2-phenylethylamino)-2-sulfanylideneacetamide
CID 2973801
1-(2-methoxyphenyl)-3-[2-(4-methoxyphenyl)ethyl]thiourea
CID 797368
N-(2,5-dimethoxyphenyl)-6-(2-phenylethylamino)pyridine-3-carboxamide
CID 109158252
1-(2-methoxy-5-methylphenyl)-3-[2-(4-methoxyphenyl)ethyl]thiourea
CID 19649928
N-[2,5-dimethoxy-4-(2-phenylethylcarbamothioylamino)phenyl]-2-methylpropanamide
CID 1428025
N-[4-methoxy-2-(2-phenylethylamino)phenyl]acetamide
CID 75438254
2-(4-benzylpiperazin-1-yl)-N-(2,5-dimethoxyphenyl)-2-oxoacetamide
CID 44892029

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-2-(2-phenylethylamino)-2-sulfanylideneacetamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-2-(2-phenylethylamino)-2-sulfanylideneacetamide (CID 2976645) is N-(2,5-dimethoxyphenyl)-2-(2-phenylethylamino)-2-sulfanylideneacetamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-2-(2-phenylethylamino)-2-sulfanylideneacetamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-2-(2-phenylethylamino)-2-sulfanylideneacetamide is COc1ccc(OC)c(NC(=O)C(=S)NCCc2ccccc2)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-2-(2-phenylethylamino)-2-sulfanylideneacetamide?
The InChIKey is NLHATJVGWCVVQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3S/c1-22-14-8-9-16(23-2)15(12-14)20-17(21)18(24)19-11-10-13-6-4-3-5-7-13/h3-9,12H,10-11H2,1-2H3,(H,19,24)(H,20,21).
What are the key properties of N-(2,5-dimethoxyphenyl)-2-(2-phenylethylamino)-2-sulfanylideneacetamide?
N-(2,5-dimethoxyphenyl)-2-(2-phenylethylamino)-2-sulfanylideneacetamide has a molecular weight of 344.44 g/mol, XLogP of 2.80, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-2-(2-phenylethylamino)-2-sulfanylideneacetamide is sourced from PubChem (CID 2976645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).