(2S)-2-(2,3-dimethylphenoxy)-N-[2-[(2-methylphenyl)methylsulfanyl]ethyl]butanamide

C22H29NO2S — CID 92677341

IUPAC(2S)-2-(2,3-dimethylphenoxy)-N-[2-[(2-methylphenyl)methylsulfanyl]ethyl]butanamide
SMILESCC[C@H](Oc1cccc(C)c1C)C(=O)NCCSCc1ccccc1C
InChIInChI=1S/C22H29NO2S/c1-5-20(25-21-12-8-10-16(2)18(21)4)22(24)23-13-14-26-15-19-11-7-6-9-17(19)3/h6-12,20H,5,13-15H2,1-4H3,(H,23,24)/t20-/m0/s1
InChIKeyVXUGOLFTPIULLE-FQEVSTJZSA-N
MW371.55 g/mol
LogP4.82
Rot. Bonds9

About (2S)-2-(2,3-dimethylphenoxy)-N-[2-[(2-methylphenyl)methylsulfanyl]ethyl]butanamide

(2S)-2-(2,3-dimethylphenoxy)-N-[2-[(2-methylphenyl)methylsulfanyl]ethyl]butanamide (PubChem CID 92677341) has the molecular formula C22H29NO2S and a molecular weight of 371.55 g/mol. Its IUPAC name is (2S)-2-(2,3-dimethylphenoxy)-N-[2-[(2-methylphenyl)methylsulfanyl]ethyl]butanamide.

Molecular Properties

Compound Name(2S)-2-(2,3-dimethylphenoxy)-N-[2-[(2-methylphenyl)methylsulfanyl]ethyl]butanamide
PubChem CID92677341
Molecular FormulaC22H29NO2S
Molecular Weight371.55 g/mol
Exact Mass371.19
IUPAC Name(2S)-2-(2,3-dimethylphenoxy)-N-[2-[(2-methylphenyl)methylsulfanyl]ethyl]butanamide
SMILESCC[C@H](Oc1cccc(C)c1C)C(=O)NCCSCc1ccccc1C
InChIInChI=1S/C22H29NO2S/c1-5-20(25-21-12-8-10-16(2)18(21)4)22(24)23-13-14-26-15-19-11-7-6-9-17(19)3/h6-12,20H,5,13-15H2,1-4H3,(H,23,24)/t20-/m0/s1
InChIKeyVXUGOLFTPIULLE-FQEVSTJZSA-N
XLogP4.82
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.55
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2S)-2-(2,3-dimethylphenoxy)-N-[2-[(2-methylphenyl)methylsulfanyl]ethyl]butanamide 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)-N-(2-benzylsulfanylethyl)-2-(2,3-dimethylphenoxy)butanamide
CID 99954618
(2S)-2-(2,3-dimethylphenoxy)-N-[2-[(3-methylphenyl)methylsulfanyl]ethyl]butanamide
CID 94027988
(2S)-2-(3-methylphenoxy)-N-[2-[(2-methylphenyl)methylsulfanyl]ethyl]butanamide
CID 93486741
(2S)-N-[2-[(3-chlorophenyl)methylsulfanyl]ethyl]-2-(2,3-dimethylphenoxy)butanamide
CID 38003536
(2S)-2-(3,4-dimethylphenoxy)-N-[2-[(2-methylphenyl)methylsulfanyl]ethyl]butanamide
CID 94012140
N-[2-[(3,4-dichlorophenyl)methylsulfanyl]ethyl]-2-(2,3-dimethylphenoxy)butanamide
CID 46771366
2-(4-tert-butylphenoxy)-N-[2-[(2-methylphenyl)methylsulfanyl]ethyl]butanamide
CID 132661123
(2S)-N-[2-[(2-methylphenyl)methylsulfanyl]ethyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide
CID 100576109
2-(2,3-dimethylphenoxy)-N-[2-(2-methoxyphenoxy)ethyl]butanamide
CID 133240125
2-(2,4-dimethylphenoxy)-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]butanamide
CID 132656452
2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-[2-[(2-methylphenyl)methylsulfanyl]ethyl]butanamide
CID 133160616
(2R)-N-(2,6-diethylphenyl)-2-(2,3-dimethylphenoxy)butanamide
CID 99955131

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2,3-dimethylphenoxy)-N-[2-[(2-methylphenyl)methylsulfanyl]ethyl]butanamide?
The IUPAC name of (2S)-2-(2,3-dimethylphenoxy)-N-[2-[(2-methylphenyl)methylsulfanyl]ethyl]butanamide (CID 92677341) is (2S)-2-(2,3-dimethylphenoxy)-N-[2-[(2-methylphenyl)methylsulfanyl]ethyl]butanamide.
What is the SMILES notation for (2S)-2-(2,3-dimethylphenoxy)-N-[2-[(2-methylphenyl)methylsulfanyl]ethyl]butanamide?
The canonical SMILES for (2S)-2-(2,3-dimethylphenoxy)-N-[2-[(2-methylphenyl)methylsulfanyl]ethyl]butanamide is CC[C@H](Oc1cccc(C)c1C)C(=O)NCCSCc1ccccc1C.
What is the InChIKey of (2S)-2-(2,3-dimethylphenoxy)-N-[2-[(2-methylphenyl)methylsulfanyl]ethyl]butanamide?
The InChIKey is VXUGOLFTPIULLE-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H29NO2S/c1-5-20(25-21-12-8-10-16(2)18(21)4)22(24)23-13-14-26-15-19-11-7-6-9-17(19)3/h6-12,20H,5,13-15H2,1-4H3,(H,23,24)/t20-/m0/s1.
What are the key properties of (2S)-2-(2,3-dimethylphenoxy)-N-[2-[(2-methylphenyl)methylsulfanyl]ethyl]butanamide?
(2S)-2-(2,3-dimethylphenoxy)-N-[2-[(2-methylphenyl)methylsulfanyl]ethyl]butanamide has a molecular weight of 371.55 g/mol, XLogP of 4.82, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2,3-dimethylphenoxy)-N-[2-[(2-methylphenyl)methylsulfanyl]ethyl]butanamide is sourced from PubChem (CID 92677341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).