2-(2-amino-5-methoxyphenyl)sulfanyl-N-butan-2-ylacetamide

C13H20N2O2S — CID 79518792

IUPAC2-(2-amino-5-methoxyphenyl)sulfanyl-N-butan-2-ylacetamide
SMILESCCC(C)NC(=O)CSc1cc(OC)ccc1N
InChIInChI=1S/C13H20N2O2S/c1-4-9(2)15-13(16)8-18-12-7-10(17-3)5-6-11(12)14/h5-7,9H,4,8,14H2,1-3H3,(H,15,16)
InChIKeyOODJEOJSMZRAJC-UHFFFAOYSA-N
MW268.38 g/mol
LogP2.28
Rot. Bonds6

About 2-(2-amino-5-methoxyphenyl)sulfanyl-N-butan-2-ylacetamide

2-(2-amino-5-methoxyphenyl)sulfanyl-N-butan-2-ylacetamide (PubChem CID 79518792) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is 2-(2-amino-5-methoxyphenyl)sulfanyl-N-butan-2-ylacetamide.

Molecular Properties

Compound Name2-(2-amino-5-methoxyphenyl)sulfanyl-N-butan-2-ylacetamide
PubChem CID79518792
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC Name2-(2-amino-5-methoxyphenyl)sulfanyl-N-butan-2-ylacetamide
SMILESCCC(C)NC(=O)CSc1cc(OC)ccc1N
InChIInChI=1S/C13H20N2O2S/c1-4-9(2)15-13(16)8-18-12-7-10(17-3)5-6-11(12)14/h5-7,9H,4,8,14H2,1-3H3,(H,15,16)
InChIKeyOODJEOJSMZRAJC-UHFFFAOYSA-N
XLogP2.28
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-ethoxyphenyl)sulfanyl-N-pentan-2-ylacetamide
CID 79518904
2-(2-amino-5-methoxyphenyl)sulfanyl-N-(methylcarbamoyl)acetamide
CID 79518862
3-(2-amino-5-methoxyphenyl)sulfanyl-N-propan-2-ylpropanamide
CID 79518648
2-(2-amino-5-ethoxyphenyl)sulfanyl-N-(3-methylbutan-2-yl)acetamide
CID 79527004
2-(2-amino-5-methoxyphenyl)sulfanyl-N-(4-fluorophenyl)acetamide
CID 79512592
2-(2-amino-5-methoxyphenyl)sulfanyl-N-(3-fluorophenyl)acetamide
CID 79517250
N-[2-(2-amino-5-methoxyphenyl)sulfanylacetyl]furan-2-carboxamide
CID 79516080
methyl 4-amino-3-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanylbenzoate
CID 114234207
2-[[4-amino-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(2S)-butan-2-yl]acetamide
CID 2524759
N-[(2S)-butan-2-yl]-2-[[5-(2,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 7661344
2-(2-amino-5-chlorophenyl)sulfanyl-N-propan-2-ylacetamide
CID 79528068

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-5-methoxyphenyl)sulfanyl-N-butan-2-ylacetamide?
The IUPAC name of 2-(2-amino-5-methoxyphenyl)sulfanyl-N-butan-2-ylacetamide (CID 79518792) is 2-(2-amino-5-methoxyphenyl)sulfanyl-N-butan-2-ylacetamide.
What is the SMILES notation for 2-(2-amino-5-methoxyphenyl)sulfanyl-N-butan-2-ylacetamide?
The canonical SMILES for 2-(2-amino-5-methoxyphenyl)sulfanyl-N-butan-2-ylacetamide is CCC(C)NC(=O)CSc1cc(OC)ccc1N.
What is the InChIKey of 2-(2-amino-5-methoxyphenyl)sulfanyl-N-butan-2-ylacetamide?
The InChIKey is OODJEOJSMZRAJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-4-9(2)15-13(16)8-18-12-7-10(17-3)5-6-11(12)14/h5-7,9H,4,8,14H2,1-3H3,(H,15,16).
What are the key properties of 2-(2-amino-5-methoxyphenyl)sulfanyl-N-butan-2-ylacetamide?
2-(2-amino-5-methoxyphenyl)sulfanyl-N-butan-2-ylacetamide has a molecular weight of 268.38 g/mol, XLogP of 2.28, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-5-methoxyphenyl)sulfanyl-N-butan-2-ylacetamide is sourced from PubChem (CID 79518792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).