2-(2-amino-5-ethoxyphenyl)sulfanyl-N-pentan-2-ylacetamide

C15H24N2O2S — CID 79518904

IUPAC2-(2-amino-5-ethoxyphenyl)sulfanyl-N-pentan-2-ylacetamide
SMILESCCCC(C)NC(=O)CSc1cc(OCC)ccc1N
InChIInChI=1S/C15H24N2O2S/c1-4-6-11(3)17-15(18)10-20-14-9-12(19-5-2)7-8-13(14)16/h7-9,11H,4-6,10,16H2,1-3H3,(H,17,18)
InChIKeySBVITGBBYKHMKV-UHFFFAOYSA-N
MW296.44 g/mol
LogP3.06
Rot. Bonds8

About 2-(2-amino-5-ethoxyphenyl)sulfanyl-N-pentan-2-ylacetamide

2-(2-amino-5-ethoxyphenyl)sulfanyl-N-pentan-2-ylacetamide (PubChem CID 79518904) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is 2-(2-amino-5-ethoxyphenyl)sulfanyl-N-pentan-2-ylacetamide.

Molecular Properties

Compound Name2-(2-amino-5-ethoxyphenyl)sulfanyl-N-pentan-2-ylacetamide
PubChem CID79518904
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC Name2-(2-amino-5-ethoxyphenyl)sulfanyl-N-pentan-2-ylacetamide
SMILESCCCC(C)NC(=O)CSc1cc(OCC)ccc1N
InChIInChI=1S/C15H24N2O2S/c1-4-6-11(3)17-15(18)10-20-14-9-12(19-5-2)7-8-13(14)16/h7-9,11H,4-6,10,16H2,1-3H3,(H,17,18)
InChIKeySBVITGBBYKHMKV-UHFFFAOYSA-N
XLogP3.06
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 53.06
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-ethoxyphenyl)sulfanyl-N-(3-methylbutan-2-yl)acetamide
CID 79527004
2-(2-amino-5-methoxyphenyl)sulfanyl-N-butan-2-ylacetamide
CID 79518792
2-(2-amino-5-ethoxyphenyl)sulfanyl-1-piperidin-1-ylethanone
CID 79526927
4-(2-amino-5-ethoxyphenyl)sulfanylpentanehydrazide
CID 79512196
2-[[2-(4-ethoxyphenyl)sulfanylacetyl]amino]pentanoic acid
CID 43630659
2-(2-amino-5-methoxyphenyl)sulfanyl-N-methylacetamide
CID 79519027
2-(2-amino-5-ethoxyphenyl)sulfanyl-2-fluoroacetic acid
CID 79512385
2-(2-amino-5-chlorophenyl)sulfanyl-N-propan-2-ylacetamide
CID 79528068
1-amino-3-(2-amino-5-ethoxyphenyl)sulfanylpropan-2-ol
CID 104643517
2-[[4-amino-5-[(4-propan-2-ylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-[(2R)-pentan-2-yl]acetamide
CID 7646952
4-ethoxy-2-(3-methylbut-2-enylsulfanyl)aniline
CID 79526787
2-(2-butoxyethylsulfanyl)-4-ethoxyaniline
CID 79526708

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-5-ethoxyphenyl)sulfanyl-N-pentan-2-ylacetamide?
The IUPAC name of 2-(2-amino-5-ethoxyphenyl)sulfanyl-N-pentan-2-ylacetamide (CID 79518904) is 2-(2-amino-5-ethoxyphenyl)sulfanyl-N-pentan-2-ylacetamide.
What is the SMILES notation for 2-(2-amino-5-ethoxyphenyl)sulfanyl-N-pentan-2-ylacetamide?
The canonical SMILES for 2-(2-amino-5-ethoxyphenyl)sulfanyl-N-pentan-2-ylacetamide is CCCC(C)NC(=O)CSc1cc(OCC)ccc1N.
What is the InChIKey of 2-(2-amino-5-ethoxyphenyl)sulfanyl-N-pentan-2-ylacetamide?
The InChIKey is SBVITGBBYKHMKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-4-6-11(3)17-15(18)10-20-14-9-12(19-5-2)7-8-13(14)16/h7-9,11H,4-6,10,16H2,1-3H3,(H,17,18).
What are the key properties of 2-(2-amino-5-ethoxyphenyl)sulfanyl-N-pentan-2-ylacetamide?
2-(2-amino-5-ethoxyphenyl)sulfanyl-N-pentan-2-ylacetamide has a molecular weight of 296.44 g/mol, XLogP of 3.06, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-5-ethoxyphenyl)sulfanyl-N-pentan-2-ylacetamide is sourced from PubChem (CID 79518904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).