2-[3-(ethylaminomethyl)phenyl]sulfanyl-N-(1-methoxypropan-2-yl)acetamide

C15H24N2O2S — CID 66347465

IUPAC2-[3-(ethylaminomethyl)phenyl]sulfanyl-N-(1-methoxypropan-2-yl)acetamide
SMILESCCNCc1cccc(SCC(=O)NC(C)COC)c1
InChIInChI=1S/C15H24N2O2S/c1-4-16-9-13-6-5-7-14(8-13)20-11-15(18)17-12(2)10-19-3/h5-8,12,16H,4,9-11H2,1-3H3,(H,17,18)
InChIKeyXLWGOCQAFHXJQQ-UHFFFAOYSA-N
MW296.44 g/mol
LogP2.04
Rot. Bonds9

About 2-[3-(ethylaminomethyl)phenyl]sulfanyl-N-(1-methoxypropan-2-yl)acetamide

2-[3-(ethylaminomethyl)phenyl]sulfanyl-N-(1-methoxypropan-2-yl)acetamide (PubChem CID 66347465) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is 2-[3-(ethylaminomethyl)phenyl]sulfanyl-N-(1-methoxypropan-2-yl)acetamide.

Molecular Properties

Compound Name2-[3-(ethylaminomethyl)phenyl]sulfanyl-N-(1-methoxypropan-2-yl)acetamide
PubChem CID66347465
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC Name2-[3-(ethylaminomethyl)phenyl]sulfanyl-N-(1-methoxypropan-2-yl)acetamide
SMILESCCNCc1cccc(SCC(=O)NC(C)COC)c1
InChIInChI=1S/C15H24N2O2S/c1-4-16-9-13-6-5-7-14(8-13)20-11-15(18)17-12(2)10-19-3/h5-8,12,16H,4,9-11H2,1-3H3,(H,17,18)
InChIKeyXLWGOCQAFHXJQQ-UHFFFAOYSA-N
XLogP2.04
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(ethylaminomethyl)phenyl]sulfanyl-N-(3-methylbutan-2-yl)acetamide
CID 66347840
N-butan-2-yl-2-[3-[(2-methylpropylamino)methyl]phenyl]sulfanylacetamide
CID 66347747
N-pentan-2-yl-2-[3-(propylaminomethyl)phenyl]sulfanylacetamide
CID 66347676
2-[3-(aminomethyl)phenyl]sulfanyl-N-pentan-2-ylacetamide
CID 66353279
N-[(3-propylsulfanylphenyl)methyl]ethanamine
CID 66347645
4-[3-(ethylaminomethyl)phenyl]sulfanyl-N-methylbutanamide
CID 66349601
2-(3-formylphenyl)-N-(1-methoxypropan-2-yl)acetamide
CID 90104695
N-[(3-pentylsulfanylphenyl)methyl]ethanamine
CID 66348037
N-(1-phenylpropan-2-yl)-2-phenylsulfanylacetamide
CID 142934157
N-[[3-(2-methylpentylsulfanyl)phenyl]methyl]ethanamine
CID 66347067
N-[[3-[2-[(2-methylpropan-2-yl)oxy]ethylsulfanyl]phenyl]methyl]ethanamine
CID 112591913
2-[(4-chlorophenyl)methylamino]-N-(1-methoxypropan-2-yl)acetamide
CID 60684118

Frequently Asked Questions

What is the IUPAC name of 2-[3-(ethylaminomethyl)phenyl]sulfanyl-N-(1-methoxypropan-2-yl)acetamide?
The IUPAC name of 2-[3-(ethylaminomethyl)phenyl]sulfanyl-N-(1-methoxypropan-2-yl)acetamide (CID 66347465) is 2-[3-(ethylaminomethyl)phenyl]sulfanyl-N-(1-methoxypropan-2-yl)acetamide.
What is the SMILES notation for 2-[3-(ethylaminomethyl)phenyl]sulfanyl-N-(1-methoxypropan-2-yl)acetamide?
The canonical SMILES for 2-[3-(ethylaminomethyl)phenyl]sulfanyl-N-(1-methoxypropan-2-yl)acetamide is CCNCc1cccc(SCC(=O)NC(C)COC)c1.
What is the InChIKey of 2-[3-(ethylaminomethyl)phenyl]sulfanyl-N-(1-methoxypropan-2-yl)acetamide?
The InChIKey is XLWGOCQAFHXJQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-4-16-9-13-6-5-7-14(8-13)20-11-15(18)17-12(2)10-19-3/h5-8,12,16H,4,9-11H2,1-3H3,(H,17,18).
What are the key properties of 2-[3-(ethylaminomethyl)phenyl]sulfanyl-N-(1-methoxypropan-2-yl)acetamide?
2-[3-(ethylaminomethyl)phenyl]sulfanyl-N-(1-methoxypropan-2-yl)acetamide has a molecular weight of 296.44 g/mol, XLogP of 2.04, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(ethylaminomethyl)phenyl]sulfanyl-N-(1-methoxypropan-2-yl)acetamide is sourced from PubChem (CID 66347465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).