2-(3-methylphenoxy)-N-[2-(4-methylphenyl)sulfanylethyl]butanamide

C20H25NO2S — CID 43905864

IUPAC2-(3-methylphenoxy)-N-[2-(4-methylphenyl)sulfanylethyl]butanamide
SMILESCCC(Oc1cccc(C)c1)C(=O)NCCSc1ccc(C)cc1
InChIInChI=1S/C20H25NO2S/c1-4-19(23-17-7-5-6-16(3)14-17)20(22)21-12-13-24-18-10-8-15(2)9-11-18/h5-11,14,19H,4,12-13H2,1-3H3,(H,21,22)
InChIKeyAOPBWFSFMRSZDF-UHFFFAOYSA-N
MW343.49 g/mol
LogP4.37
Rot. Bonds8

About 2-(3-methylphenoxy)-N-[2-(4-methylphenyl)sulfanylethyl]butanamide

2-(3-methylphenoxy)-N-[2-(4-methylphenyl)sulfanylethyl]butanamide (PubChem CID 43905864) has the molecular formula C20H25NO2S and a molecular weight of 343.49 g/mol. Its IUPAC name is 2-(3-methylphenoxy)-N-[2-(4-methylphenyl)sulfanylethyl]butanamide.

Molecular Properties

Compound Name2-(3-methylphenoxy)-N-[2-(4-methylphenyl)sulfanylethyl]butanamide
PubChem CID43905864
Molecular FormulaC20H25NO2S
Molecular Weight343.49 g/mol
Exact Mass343.16
IUPAC Name2-(3-methylphenoxy)-N-[2-(4-methylphenyl)sulfanylethyl]butanamide
SMILESCCC(Oc1cccc(C)c1)C(=O)NCCSc1ccc(C)cc1
InChIInChI=1S/C20H25NO2S/c1-4-19(23-17-7-5-6-16(3)14-17)20(22)21-12-13-24-18-10-8-15(2)9-11-18/h5-11,14,19H,4,12-13H2,1-3H3,(H,21,22)
InChIKeyAOPBWFSFMRSZDF-UHFFFAOYSA-N
XLogP4.37
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.49
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-methylphenoxy)-N-[2-(3-methylphenoxy)ethyl]butanamide
CID 133211130
(2S)-2-(3-methylphenoxy)-N-[3-(4-methylphenyl)propyl]butanamide
CID 92681450
N-(3-methylbutyl)-2-(3-methylphenoxy)butanamide
CID 46764187
(2S)-2-(3-methylphenoxy)-N-[2-[(2-methylphenyl)methylsulfanyl]ethyl]butanamide
CID 93486741
(2R)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]-2-(3-methylphenoxy)butanamide
CID 92683340
2-(3-methylphenoxy)-N-[(4-methylphenyl)-phenylmethyl]butanamide
CID 43916230
6-[2-(3-methylphenoxy)butanoylamino]hexanoic acid
CID 119352114
(2S)-2-(4-methylphenoxy)-N-[2-[[(2S)-2-(4-methylphenoxy)butanoyl]amino]ethyl]butanamide
CID 40796762
(2R)-2-(3-methoxyphenoxy)-N-[2-[(3-methylphenyl)methylsulfanyl]ethyl]butanamide
CID 99951170
4-methyl-N'-[2-(3-methylphenoxy)butanoyl]benzohydrazide
CID 4928674
(2R)-N-[2-[(2,4-dichlorophenyl)methylsulfanyl]ethyl]-2-(3-methylphenoxy)butanamide
CID 28635218
N-[2-(4-aminophenyl)ethyl]-2-(3-methylphenoxy)butanamide;hydrochloride
CID 119549172

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenoxy)-N-[2-(4-methylphenyl)sulfanylethyl]butanamide?
The IUPAC name of 2-(3-methylphenoxy)-N-[2-(4-methylphenyl)sulfanylethyl]butanamide (CID 43905864) is 2-(3-methylphenoxy)-N-[2-(4-methylphenyl)sulfanylethyl]butanamide.
What is the SMILES notation for 2-(3-methylphenoxy)-N-[2-(4-methylphenyl)sulfanylethyl]butanamide?
The canonical SMILES for 2-(3-methylphenoxy)-N-[2-(4-methylphenyl)sulfanylethyl]butanamide is CCC(Oc1cccc(C)c1)C(=O)NCCSc1ccc(C)cc1.
What is the InChIKey of 2-(3-methylphenoxy)-N-[2-(4-methylphenyl)sulfanylethyl]butanamide?
The InChIKey is AOPBWFSFMRSZDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO2S/c1-4-19(23-17-7-5-6-16(3)14-17)20(22)21-12-13-24-18-10-8-15(2)9-11-18/h5-11,14,19H,4,12-13H2,1-3H3,(H,21,22).
What are the key properties of 2-(3-methylphenoxy)-N-[2-(4-methylphenyl)sulfanylethyl]butanamide?
2-(3-methylphenoxy)-N-[2-(4-methylphenyl)sulfanylethyl]butanamide has a molecular weight of 343.49 g/mol, XLogP of 4.37, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenoxy)-N-[2-(4-methylphenyl)sulfanylethyl]butanamide is sourced from PubChem (CID 43905864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).