2-[2-[(2-methoxyethylamino)methyl]-4-methylphenyl]sulfanylacetamide

C13H20N2O2S — CID 114231448

IUPAC2-[2-[(2-methoxyethylamino)methyl]-4-methylphenyl]sulfanylacetamide
SMILESCOCCNCc1cc(C)ccc1SCC(N)=O
InChIInChI=1S/C13H20N2O2S/c1-10-3-4-12(18-9-13(14)16)11(7-10)8-15-5-6-17-2/h3-4,7,15H,5-6,8-9H2,1-2H3,(H2,14,16)
InChIKeyYOVMEPXAEWMPTR-UHFFFAOYSA-N
MW268.38 g/mol
LogP1.31
Rot. Bonds8

About 2-[2-[(2-methoxyethylamino)methyl]-4-methylphenyl]sulfanylacetamide

2-[2-[(2-methoxyethylamino)methyl]-4-methylphenyl]sulfanylacetamide (PubChem CID 114231448) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is 2-[2-[(2-methoxyethylamino)methyl]-4-methylphenyl]sulfanylacetamide.

Molecular Properties

Compound Name2-[2-[(2-methoxyethylamino)methyl]-4-methylphenyl]sulfanylacetamide
PubChem CID114231448
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC Name2-[2-[(2-methoxyethylamino)methyl]-4-methylphenyl]sulfanylacetamide
SMILESCOCCNCc1cc(C)ccc1SCC(N)=O
InChIInChI=1S/C13H20N2O2S/c1-10-3-4-12(18-9-13(14)16)11(7-10)8-15-5-6-17-2/h3-4,7,15H,5-6,8-9H2,1-2H3,(H2,14,16)
InChIKeyYOVMEPXAEWMPTR-UHFFFAOYSA-N
XLogP1.31
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[4-chloro-2-[(2-methoxyethylamino)methyl]phenyl]sulfanylacetate
CID 114864381
methyl 2-[2-(ethylaminomethyl)-4-methylphenyl]sulfanylacetate
CID 114055409
N-carbamoyl-2-[2-[(2-methoxyethylamino)methyl]-4-methylphenoxy]acetamide
CID 63324892
methyl 4-[2-[(2-methoxyethylamino)methyl]-4-methylphenoxy]butanoate
CID 63324887
2-[(2,5-dimethylphenyl)methylamino]ethyl carbamate
CID 83210925
propan-2-yl 2-[2-[(2-methoxyethylamino)methyl]-4-methylphenoxy]acetate
CID 63324667
2-[2-(ethylaminomethyl)-4-methylphenyl]sulfanyl-N,N-dimethylacetamide
CID 114234766
methyl 2-[5-chloro-2-[(2-methoxyethylamino)methyl]phenyl]sulfanylacetate
CID 114864370
2-[[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]sulfanyl]acetamide
CID 114231429
3-[(2-methoxy-5-methylphenyl)methylamino]propanamide
CID 43423932
2-(2-amino-5-methylphenyl)sulfanyl-N-(2-methoxyethyl)acetamide
CID 79142889
2-(2-amino-5-methylphenyl)sulfanylacetamide
CID 79142056

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-methoxyethylamino)methyl]-4-methylphenyl]sulfanylacetamide?
The IUPAC name of 2-[2-[(2-methoxyethylamino)methyl]-4-methylphenyl]sulfanylacetamide (CID 114231448) is 2-[2-[(2-methoxyethylamino)methyl]-4-methylphenyl]sulfanylacetamide.
What is the SMILES notation for 2-[2-[(2-methoxyethylamino)methyl]-4-methylphenyl]sulfanylacetamide?
The canonical SMILES for 2-[2-[(2-methoxyethylamino)methyl]-4-methylphenyl]sulfanylacetamide is COCCNCc1cc(C)ccc1SCC(N)=O.
What is the InChIKey of 2-[2-[(2-methoxyethylamino)methyl]-4-methylphenyl]sulfanylacetamide?
The InChIKey is YOVMEPXAEWMPTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-10-3-4-12(18-9-13(14)16)11(7-10)8-15-5-6-17-2/h3-4,7,15H,5-6,8-9H2,1-2H3,(H2,14,16).
What are the key properties of 2-[2-[(2-methoxyethylamino)methyl]-4-methylphenyl]sulfanylacetamide?
2-[2-[(2-methoxyethylamino)methyl]-4-methylphenyl]sulfanylacetamide has a molecular weight of 268.38 g/mol, XLogP of 1.31, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-methoxyethylamino)methyl]-4-methylphenyl]sulfanylacetamide is sourced from PubChem (CID 114231448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).