2-(3-methoxyphenoxy)-N-[2-[(3-methylphenyl)methylsulfanyl]ethyl]propanamide

C20H25NO3S — CID 43915835

IUPAC2-(3-methoxyphenoxy)-N-[2-[(3-methylphenyl)methylsulfanyl]ethyl]propanamide
SMILESCOc1cccc(OC(C)C(=O)NCCSCc2cccc(C)c2)c1
InChIInChI=1S/C20H25NO3S/c1-15-6-4-7-17(12-15)14-25-11-10-21-20(22)16(2)24-19-9-5-8-18(13-19)23-3/h4-9,12-13,16H,10-11,14H2,1-3H3,(H,21,22)
InChIKeyVRVMMVNXNXQNKR-UHFFFAOYSA-N
MW359.49 g/mol
LogP3.82
Rot. Bonds9

About 2-(3-methoxyphenoxy)-N-[2-[(3-methylphenyl)methylsulfanyl]ethyl]propanamide

2-(3-methoxyphenoxy)-N-[2-[(3-methylphenyl)methylsulfanyl]ethyl]propanamide (PubChem CID 43915835) has the molecular formula C20H25NO3S and a molecular weight of 359.49 g/mol. Its IUPAC name is 2-(3-methoxyphenoxy)-N-[2-[(3-methylphenyl)methylsulfanyl]ethyl]propanamide.

Molecular Properties

Compound Name2-(3-methoxyphenoxy)-N-[2-[(3-methylphenyl)methylsulfanyl]ethyl]propanamide
PubChem CID43915835
Molecular FormulaC20H25NO3S
Molecular Weight359.49 g/mol
Exact Mass359.16
IUPAC Name2-(3-methoxyphenoxy)-N-[2-[(3-methylphenyl)methylsulfanyl]ethyl]propanamide
SMILESCOc1cccc(OC(C)C(=O)NCCSCc2cccc(C)c2)c1
InChIInChI=1S/C20H25NO3S/c1-15-6-4-7-17(12-15)14-25-11-10-21-20(22)16(2)24-19-9-5-8-18(13-19)23-3/h4-9,12-13,16H,10-11,14H2,1-3H3,(H,21,22)
InChIKeyVRVMMVNXNXQNKR-UHFFFAOYSA-N
XLogP3.82
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.49
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(3-methoxyphenoxy)-N-[2-[(3-methylphenyl)methylsulfanyl]ethyl]propanamide 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

(2R)-2-(3-methoxyphenoxy)-N-[2-[(3-methylphenyl)methylsulfanyl]ethyl]butanamide
CID 99951170
(2R)-N-[2-[(3,4-dichlorophenyl)methylsulfanyl]ethyl]-2-(3-methoxyphenoxy)propanamide
CID 92684620
(2S)-N-(2-benzylsulfanylethyl)-2-(4-methoxyphenoxy)propanamide
CID 42115635
(2R)-N-(2-tert-butylsulfanylethyl)-2-(3-methoxyphenoxy)propanamide
CID 28635088
(2R)-N-(2-benzylsulfanylethyl)-2-(3-methoxyphenoxy)butanamide
CID 28579105
2-(3-methoxyphenoxy)-N-(2-phenylethyl)propanamide
CID 19203903
(2S)-2-(3-methoxyphenoxy)-N-(2-phenylsulfanylethyl)propanamide
CID 28577516
(2S)-2-(3-methoxyphenoxy)-N-propylpropanamide
CID 30392232
(2S)-N-[2-[(3-chlorophenyl)methylsulfanyl]ethyl]-2-(2-methylphenoxy)propanamide
CID 28575591
(2S)-N-[(3-methylphenyl)methyl]-2-phenoxypropanamide
CID 38295049
(2R)-2-(4-fluorophenoxy)-N-[2-[(3-methylphenyl)methylsulfanyl]ethyl]butanamide
CID 92671976
N-(2-benzylsulfanylethyl)-2-(2-methylphenoxy)propanamide
CID 46773020

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenoxy)-N-[2-[(3-methylphenyl)methylsulfanyl]ethyl]propanamide?
The IUPAC name of 2-(3-methoxyphenoxy)-N-[2-[(3-methylphenyl)methylsulfanyl]ethyl]propanamide (CID 43915835) is 2-(3-methoxyphenoxy)-N-[2-[(3-methylphenyl)methylsulfanyl]ethyl]propanamide.
What is the SMILES notation for 2-(3-methoxyphenoxy)-N-[2-[(3-methylphenyl)methylsulfanyl]ethyl]propanamide?
The canonical SMILES for 2-(3-methoxyphenoxy)-N-[2-[(3-methylphenyl)methylsulfanyl]ethyl]propanamide is COc1cccc(OC(C)C(=O)NCCSCc2cccc(C)c2)c1.
What is the InChIKey of 2-(3-methoxyphenoxy)-N-[2-[(3-methylphenyl)methylsulfanyl]ethyl]propanamide?
The InChIKey is VRVMMVNXNXQNKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO3S/c1-15-6-4-7-17(12-15)14-25-11-10-21-20(22)16(2)24-19-9-5-8-18(13-19)23-3/h4-9,12-13,16H,10-11,14H2,1-3H3,(H,21,22).
What are the key properties of 2-(3-methoxyphenoxy)-N-[2-[(3-methylphenyl)methylsulfanyl]ethyl]propanamide?
2-(3-methoxyphenoxy)-N-[2-[(3-methylphenyl)methylsulfanyl]ethyl]propanamide has a molecular weight of 359.49 g/mol, XLogP of 3.82, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenoxy)-N-[2-[(3-methylphenyl)methylsulfanyl]ethyl]propanamide is sourced from PubChem (CID 43915835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).