2-amino-N-[(4-methoxyphenyl)methyl]-2-sulfanylideneacetamide

C10H12N2O2S — CID 89181014

IUPAC2-amino-N-[(4-methoxyphenyl)methyl]-2-sulfanylideneacetamide
SMILESCOc1ccc(CNC(=O)C(N)=S)cc1
InChIInChI=1S/C10H12N2O2S/c1-14-8-4-2-7(3-5-8)6-12-10(13)9(11)15/h2-5H,6H2,1H3,(H2,11,15)(H,12,13)
InChIKeyCQXWVRRFHPLVKO-UHFFFAOYSA-N
MW224.29 g/mol
LogP0.60
Rot. Bonds3

About 2-amino-N-[(4-methoxyphenyl)methyl]-2-sulfanylideneacetamide

2-amino-N-[(4-methoxyphenyl)methyl]-2-sulfanylideneacetamide (PubChem CID 89181014) has the molecular formula C10H12N2O2S and a molecular weight of 224.29 g/mol. Its IUPAC name is 2-amino-N-[(4-methoxyphenyl)methyl]-2-sulfanylideneacetamide.

Molecular Properties

Compound Name2-amino-N-[(4-methoxyphenyl)methyl]-2-sulfanylideneacetamide
PubChem CID89181014
Molecular FormulaC10H12N2O2S
Molecular Weight224.29 g/mol
Exact Mass224.06
IUPAC Name2-amino-N-[(4-methoxyphenyl)methyl]-2-sulfanylideneacetamide
SMILESCOc1ccc(CNC(=O)C(N)=S)cc1
InChIInChI=1S/C10H12N2O2S/c1-14-8-4-2-7(3-5-8)6-12-10(13)9(11)15/h2-5H,6H2,1H3,(H2,11,15)(H,12,13)
InChIKeyCQXWVRRFHPLVKO-UHFFFAOYSA-N
XLogP0.60
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.29
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-[(4-methoxyphenyl)methyl]oxamide
CID 2243752
(E)-N-[(4-methoxyphenyl)methyl]-2-methylbut-2-enamide
CID 134086963
N-[(4-methoxyphenyl)methyl]acetamide;hydrochloride
CID 139808929
(2S)-2-amino-N-[(4-methoxyphenyl)methyl]propanamide
CID 22690461
N-(3-chloropropyl)-N'-[(4-methoxyphenyl)methyl]oxamide
CID 108508151
N'-[(4-methoxyphenyl)methyl]-2-methylidenebutanediamide
CID 22185292
2-methoxy-N-[(4-methoxyphenyl)methyl]acetamide
CID 885776
3-[(4-methoxyphenyl)methyl]-1,1-dimethylthiourea
CID 15366755
N-[(4-methoxyphenyl)methyl]-2-sulfanylacetamide
CID 58957123
N-(2-amino-2-sulfanylideneethyl)-2-(4-methoxyphenyl)acetamide
CID 61127076
2-[(4-methoxyphenyl)methylamino]ethylurea
CID 83110239
O-methyl N-[(4-methoxyphenyl)methylcarbamoyl]-N-sulfanylcarbamothioate
CID 151276492

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(4-methoxyphenyl)methyl]-2-sulfanylideneacetamide?
The IUPAC name of 2-amino-N-[(4-methoxyphenyl)methyl]-2-sulfanylideneacetamide (CID 89181014) is 2-amino-N-[(4-methoxyphenyl)methyl]-2-sulfanylideneacetamide.
What is the SMILES notation for 2-amino-N-[(4-methoxyphenyl)methyl]-2-sulfanylideneacetamide?
The canonical SMILES for 2-amino-N-[(4-methoxyphenyl)methyl]-2-sulfanylideneacetamide is COc1ccc(CNC(=O)C(N)=S)cc1.
What is the InChIKey of 2-amino-N-[(4-methoxyphenyl)methyl]-2-sulfanylideneacetamide?
The InChIKey is CQXWVRRFHPLVKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2S/c1-14-8-4-2-7(3-5-8)6-12-10(13)9(11)15/h2-5H,6H2,1H3,(H2,11,15)(H,12,13).
What are the key properties of 2-amino-N-[(4-methoxyphenyl)methyl]-2-sulfanylideneacetamide?
2-amino-N-[(4-methoxyphenyl)methyl]-2-sulfanylideneacetamide has a molecular weight of 224.29 g/mol, XLogP of 0.60, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(4-methoxyphenyl)methyl]-2-sulfanylideneacetamide is sourced from PubChem (CID 89181014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).