N-[2-(2-methoxyphenyl)ethyl]-2-(2-methylsulfanylanilino)acetamide

C18H22N2O2S — CID 86910700

IUPACN-[2-(2-methoxyphenyl)ethyl]-2-(2-methylsulfanylanilino)acetamide
SMILESCOc1ccccc1CCNC(=O)CNc1ccccc1SC
InChIInChI=1S/C18H22N2O2S/c1-22-16-9-5-3-7-14(16)11-12-19-18(21)13-20-15-8-4-6-10-17(15)23-2/h3-10,20H,11-13H2,1-2H3,(H,19,21)
InChIKeyHEMQMNLOKBEDMJ-UHFFFAOYSA-N
MW330.45 g/mol
LogP3.19
Rot. Bonds8

About N-[2-(2-methoxyphenyl)ethyl]-2-(2-methylsulfanylanilino)acetamide

N-[2-(2-methoxyphenyl)ethyl]-2-(2-methylsulfanylanilino)acetamide (PubChem CID 86910700) has the molecular formula C18H22N2O2S and a molecular weight of 330.45 g/mol. Its IUPAC name is N-[2-(2-methoxyphenyl)ethyl]-2-(2-methylsulfanylanilino)acetamide.

Molecular Properties

Compound NameN-[2-(2-methoxyphenyl)ethyl]-2-(2-methylsulfanylanilino)acetamide
PubChem CID86910700
Molecular FormulaC18H22N2O2S
Molecular Weight330.45 g/mol
Exact Mass330.14
IUPAC NameN-[2-(2-methoxyphenyl)ethyl]-2-(2-methylsulfanylanilino)acetamide
SMILESCOc1ccccc1CCNC(=O)CNc1ccccc1SC
InChIInChI=1S/C18H22N2O2S/c1-22-16-9-5-3-7-14(16)11-12-19-18(21)13-20-15-8-4-6-10-17(15)23-2/h3-10,20H,11-13H2,1-2H3,(H,19,21)
InChIKeyHEMQMNLOKBEDMJ-UHFFFAOYSA-N
XLogP3.19
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.45
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2-methoxyphenyl)ethyl]-2-[2-(2,2,2-trifluoroethoxy)anilino]acetamide
CID 86920518
N-[2-(4-fluorophenyl)ethyl]-2-(2-methylsulfanylanilino)acetamide
CID 35811388
N-[2-(2-methoxyphenyl)ethyl]-2-methylsulfanylacetamide
CID 112766496
2-(ethylamino)-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 113219093
N-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl]-3-methylbutanamide
CID 112993457
2-amino-N-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl]acetamide
CID 103629773
2-[2-(2-fluorophenyl)ethylamino]-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 109000124
N-[2-(2-methoxyphenyl)ethyl]-2-phenylsulfanylacetamide
CID 26777809
2-[4-chloro-2-(trifluoromethyl)anilino]-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 109000826
2-[(2-fluorophenyl)methylamino]-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 108997498
N-[2-(2-methoxyphenyl)ethyl]-4-methylpentanamide
CID 78779677
2-(3-acetamidoanilino)-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 109000800

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyphenyl)ethyl]-2-(2-methylsulfanylanilino)acetamide?
The IUPAC name of N-[2-(2-methoxyphenyl)ethyl]-2-(2-methylsulfanylanilino)acetamide (CID 86910700) is N-[2-(2-methoxyphenyl)ethyl]-2-(2-methylsulfanylanilino)acetamide.
What is the SMILES notation for N-[2-(2-methoxyphenyl)ethyl]-2-(2-methylsulfanylanilino)acetamide?
The canonical SMILES for N-[2-(2-methoxyphenyl)ethyl]-2-(2-methylsulfanylanilino)acetamide is COc1ccccc1CCNC(=O)CNc1ccccc1SC.
What is the InChIKey of N-[2-(2-methoxyphenyl)ethyl]-2-(2-methylsulfanylanilino)acetamide?
The InChIKey is HEMQMNLOKBEDMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2S/c1-22-16-9-5-3-7-14(16)11-12-19-18(21)13-20-15-8-4-6-10-17(15)23-2/h3-10,20H,11-13H2,1-2H3,(H,19,21).
What are the key properties of N-[2-(2-methoxyphenyl)ethyl]-2-(2-methylsulfanylanilino)acetamide?
N-[2-(2-methoxyphenyl)ethyl]-2-(2-methylsulfanylanilino)acetamide has a molecular weight of 330.45 g/mol, XLogP of 3.19, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyphenyl)ethyl]-2-(2-methylsulfanylanilino)acetamide is sourced from PubChem (CID 86910700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).