N-[1-[2-(4-ethylsulfanyl-2-methylphenoxy)quinolin-6-yl]ethyl]acetamide

C22H24N2O2S — CID 68762911

IUPACN-[1-[2-(4-ethylsulfanyl-2-methylphenoxy)quinolin-6-yl]ethyl]acetamide
SMILESCCSc1ccc(Oc2ccc3cc(C(C)NC(C)=O)ccc3n2)c(C)c1
InChIInChI=1S/C22H24N2O2S/c1-5-27-19-8-10-21(14(2)12-19)26-22-11-7-18-13-17(6-9-20(18)24-22)15(3)23-16(4)25/h6-13,15H,5H2,1-4H3,(H,23,25)
InChIKeyKWCOZMRFOBASJA-UHFFFAOYSA-N
MW380.51 g/mol
LogP5.64
Rot. Bonds6

About N-[1-[2-(4-ethylsulfanyl-2-methylphenoxy)quinolin-6-yl]ethyl]acetamide

N-[1-[2-(4-ethylsulfanyl-2-methylphenoxy)quinolin-6-yl]ethyl]acetamide (PubChem CID 68762911) has the molecular formula C22H24N2O2S and a molecular weight of 380.51 g/mol. Its IUPAC name is N-[1-[2-(4-ethylsulfanyl-2-methylphenoxy)quinolin-6-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[1-[2-(4-ethylsulfanyl-2-methylphenoxy)quinolin-6-yl]ethyl]acetamide
PubChem CID68762911
Molecular FormulaC22H24N2O2S
Molecular Weight380.51 g/mol
Exact Mass380.16
IUPAC NameN-[1-[2-(4-ethylsulfanyl-2-methylphenoxy)quinolin-6-yl]ethyl]acetamide
SMILESCCSc1ccc(Oc2ccc3cc(C(C)NC(C)=O)ccc3n2)c(C)c1
InChIInChI=1S/C22H24N2O2S/c1-5-27-19-8-10-21(14(2)12-19)26-22-11-7-18-13-17(6-9-20(18)24-22)15(3)23-16(4)25/h6-13,15H,5H2,1-4H3,(H,23,25)
InChIKeyKWCOZMRFOBASJA-UHFFFAOYSA-N
XLogP5.64
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.51
LogP ≤ 55.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[1-[2-(4-ethylsulfanyl-2-methylphenoxy)quinolin-6-yl]ethyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-[2-(3-methyl-4-pyridin-2-yloxyphenoxy)quinolin-6-yl]ethyl]acetamide
CID 68758504
N-[1-[2-(2-bromo-4-ethoxyphenoxy)quinolin-6-yl]ethyl]acetamide
CID 68761187
N-[1-[2-(3-bromo-4-ethoxyphenoxy)quinolin-6-yl]ethyl]acetamide
CID 68760152
N-[1-[2-[4-(cyclopropylmethoxy)-2-methylphenoxy]quinolin-6-yl]ethyl]propanamide
CID 70833755
N-[1-[2-[3-bromo-4-(2-methylpropoxy)phenoxy]quinolin-6-yl]ethyl]acetamide
CID 70833796
methyl N-[1-[2-[4-(cyclopropylmethoxy)-2-methylphenoxy]quinolin-6-yl]ethyl]carbamate
CID 70834063
N-[1-[2-[2-bromo-4-(cyclohexylmethoxy)phenoxy]quinolin-6-yl]ethyl]acetamide
CID 68759815
2-amino-N-[1-[2-(4-propan-2-yloxyphenoxy)quinolin-6-yl]ethyl]acetamide;hydrochloride
CID 68761041
N-[2-[2-(2,3-dimethyl-4-propan-2-ylsulfanylphenoxy)quinolin-6-yl]ethyl]acetamide
CID 68759886
2-[2-(4-butan-2-yloxy-2-methylphenoxy)quinolin-6-yl]acetaldehyde
CID 87563922
N-[2-[2-(3-methyl-4-propan-2-yloxyphenoxy)quinolin-6-yl]ethyl]acetamide
CID 68763349
N-[1-[6-(3-ethoxyphenoxy)naphthalen-2-yl]ethyl]acetamide
CID 68759728

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(4-ethylsulfanyl-2-methylphenoxy)quinolin-6-yl]ethyl]acetamide?
The IUPAC name of N-[1-[2-(4-ethylsulfanyl-2-methylphenoxy)quinolin-6-yl]ethyl]acetamide (CID 68762911) is N-[1-[2-(4-ethylsulfanyl-2-methylphenoxy)quinolin-6-yl]ethyl]acetamide.
What is the SMILES notation for N-[1-[2-(4-ethylsulfanyl-2-methylphenoxy)quinolin-6-yl]ethyl]acetamide?
The canonical SMILES for N-[1-[2-(4-ethylsulfanyl-2-methylphenoxy)quinolin-6-yl]ethyl]acetamide is CCSc1ccc(Oc2ccc3cc(C(C)NC(C)=O)ccc3n2)c(C)c1.
What is the InChIKey of N-[1-[2-(4-ethylsulfanyl-2-methylphenoxy)quinolin-6-yl]ethyl]acetamide?
The InChIKey is KWCOZMRFOBASJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O2S/c1-5-27-19-8-10-21(14(2)12-19)26-22-11-7-18-13-17(6-9-20(18)24-22)15(3)23-16(4)25/h6-13,15H,5H2,1-4H3,(H,23,25).
What are the key properties of N-[1-[2-(4-ethylsulfanyl-2-methylphenoxy)quinolin-6-yl]ethyl]acetamide?
N-[1-[2-(4-ethylsulfanyl-2-methylphenoxy)quinolin-6-yl]ethyl]acetamide has a molecular weight of 380.51 g/mol, XLogP of 5.64, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(4-ethylsulfanyl-2-methylphenoxy)quinolin-6-yl]ethyl]acetamide is sourced from PubChem (CID 68762911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).