2-(2-amino-5-methoxyphenyl)sulfanyl-N-(methylcarbamoyl)acetamide

C11H15N3O3S — CID 79518862

IUPAC2-(2-amino-5-methoxyphenyl)sulfanyl-N-(methylcarbamoyl)acetamide
SMILESCNC(=O)NC(=O)CSc1cc(OC)ccc1N
InChIInChI=1S/C11H15N3O3S/c1-13-11(16)14-10(15)6-18-9-5-7(17-2)3-4-8(9)12/h3-5H,6,12H2,1-2H3,(H2,13,14,15,16)
InChIKeyDHRRYBBCDJFKTK-UHFFFAOYSA-N
MW269.33 g/mol
LogP0.83
Rot. Bonds4

About 2-(2-amino-5-methoxyphenyl)sulfanyl-N-(methylcarbamoyl)acetamide

2-(2-amino-5-methoxyphenyl)sulfanyl-N-(methylcarbamoyl)acetamide (PubChem CID 79518862) has the molecular formula C11H15N3O3S and a molecular weight of 269.33 g/mol. Its IUPAC name is 2-(2-amino-5-methoxyphenyl)sulfanyl-N-(methylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-(2-amino-5-methoxyphenyl)sulfanyl-N-(methylcarbamoyl)acetamide
PubChem CID79518862
Molecular FormulaC11H15N3O3S
Molecular Weight269.33 g/mol
Exact Mass269.08
IUPAC Name2-(2-amino-5-methoxyphenyl)sulfanyl-N-(methylcarbamoyl)acetamide
SMILESCNC(=O)NC(=O)CSc1cc(OC)ccc1N
InChIInChI=1S/C11H15N3O3S/c1-13-11(16)14-10(15)6-18-9-5-7(17-2)3-4-8(9)12/h3-5H,6,12H2,1-2H3,(H2,13,14,15,16)
InChIKeyDHRRYBBCDJFKTK-UHFFFAOYSA-N
XLogP0.83
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 50.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(2-amino-5-methoxyphenyl)sulfanyl-N-methylacetamide
CID 79519027
2-(2-amino-5-methoxyphenyl)sulfanyl-N-butan-2-ylacetamide
CID 79518792
N-[2-(2-amino-5-methoxyphenyl)sulfanylacetyl]furan-2-carboxamide
CID 79516080
2-(2-amino-5-methoxyphenyl)sulfanyl-N-(4-fluorophenyl)acetamide
CID 79512592
2-(2-amino-5-methoxyphenyl)sulfanyl-N-(3-fluorophenyl)acetamide
CID 79517250
3-(2-amino-5-methoxyphenyl)sulfanyl-N-propan-2-ylpropanamide
CID 79518648
2-(4-amino-3-fluorophenyl)sulfanyl-N-(methylcarbamoyl)acetamide
CID 79140915
2-(2-fluoroethylsulfanyl)-4-methoxyaniline
CID 80693918
hydrazinyl 3-(2-amino-5-methoxyphenyl)sulfanylpropanoate
CID 79511407
3-(2-amino-5-methoxyphenyl)sulfanyl-2,2-dimethylpropanoic acid
CID 79630325
3-(3-methoxyphenyl)sulfanyl-N-(methylcarbamoyl)propanamide
CID 47154225
2-(2,4-dimethylphenyl)sulfanyl-N-(methylcarbamoyl)acetamide
CID 2616367

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-5-methoxyphenyl)sulfanyl-N-(methylcarbamoyl)acetamide?
The IUPAC name of 2-(2-amino-5-methoxyphenyl)sulfanyl-N-(methylcarbamoyl)acetamide (CID 79518862) is 2-(2-amino-5-methoxyphenyl)sulfanyl-N-(methylcarbamoyl)acetamide.
What is the SMILES notation for 2-(2-amino-5-methoxyphenyl)sulfanyl-N-(methylcarbamoyl)acetamide?
The canonical SMILES for 2-(2-amino-5-methoxyphenyl)sulfanyl-N-(methylcarbamoyl)acetamide is CNC(=O)NC(=O)CSc1cc(OC)ccc1N.
What is the InChIKey of 2-(2-amino-5-methoxyphenyl)sulfanyl-N-(methylcarbamoyl)acetamide?
The InChIKey is DHRRYBBCDJFKTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3S/c1-13-11(16)14-10(15)6-18-9-5-7(17-2)3-4-8(9)12/h3-5H,6,12H2,1-2H3,(H2,13,14,15,16).
What are the key properties of 2-(2-amino-5-methoxyphenyl)sulfanyl-N-(methylcarbamoyl)acetamide?
2-(2-amino-5-methoxyphenyl)sulfanyl-N-(methylcarbamoyl)acetamide has a molecular weight of 269.33 g/mol, XLogP of 0.83, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-5-methoxyphenyl)sulfanyl-N-(methylcarbamoyl)acetamide is sourced from PubChem (CID 79518862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).