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

C21H27NO3S — CID 99951170

IUPAC(2R)-2-(3-methoxyphenoxy)-N-[2-[(3-methylphenyl)methylsulfanyl]ethyl]butanamide
SMILESCC[C@@H](Oc1cccc(OC)c1)C(=O)NCCSCc1cccc(C)c1
InChIInChI=1S/C21H27NO3S/c1-4-20(25-19-10-6-9-18(14-19)24-3)21(23)22-11-12-26-15-17-8-5-7-16(2)13-17/h5-10,13-14,20H,4,11-12,15H2,1-3H3,(H,22,23)/t20-/m1/s1
InChIKeyVERBNPNNLBBNQX-HXUWFJFHSA-N
MW373.52 g/mol
LogP4.21
Rot. Bonds10

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

(2R)-2-(3-methoxyphenoxy)-N-[2-[(3-methylphenyl)methylsulfanyl]ethyl]butanamide (PubChem CID 99951170) has the molecular formula C21H27NO3S and a molecular weight of 373.52 g/mol. Its IUPAC name is (2R)-2-(3-methoxyphenoxy)-N-[2-[(3-methylphenyl)methylsulfanyl]ethyl]butanamide.

Molecular Properties

Compound Name(2R)-2-(3-methoxyphenoxy)-N-[2-[(3-methylphenyl)methylsulfanyl]ethyl]butanamide
PubChem CID99951170
Molecular FormulaC21H27NO3S
Molecular Weight373.52 g/mol
Exact Mass373.17
IUPAC Name(2R)-2-(3-methoxyphenoxy)-N-[2-[(3-methylphenyl)methylsulfanyl]ethyl]butanamide
SMILESCC[C@@H](Oc1cccc(OC)c1)C(=O)NCCSCc1cccc(C)c1
InChIInChI=1S/C21H27NO3S/c1-4-20(25-19-10-6-9-18(14-19)24-3)21(23)22-11-12-26-15-17-8-5-7-16(2)13-17/h5-10,13-14,20H,4,11-12,15H2,1-3H3,(H,22,23)/t20-/m1/s1
InChIKeyVERBNPNNLBBNQX-HXUWFJFHSA-N
XLogP4.21
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.52
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2R)-2-(3-methoxyphenoxy)-N-[2-[(3-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-(3-methoxyphenoxy)butanamide
CID 28579105
2-(3-methoxyphenoxy)-N-[2-[(3-methylphenyl)methylsulfanyl]ethyl]propanamide
CID 43915835
(2R)-2-(4-fluorophenoxy)-N-[2-[(3-methylphenyl)methylsulfanyl]ethyl]butanamide
CID 92671976
2-(4-chloro-3-methylphenoxy)-N-[2-[(3-methylphenyl)methylsulfanyl]ethyl]butanamide
CID 132659532
(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-(3,4-dimethylphenoxy)butanamide
CID 92646274
(2R)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]-2-(3-methylphenoxy)butanamide
CID 92683340
N-[2-[(3-chlorophenyl)methylsulfanyl]ethyl]-2-naphthalen-2-yloxybutanamide
CID 46764606
2-(3-methoxyphenoxy)-N-[(3-methoxyphenyl)methyl]butanamide
CID 53284474
(2R)-N-[2-[(2,4-dichlorophenyl)methylsulfanyl]ethyl]-2-(3-methylphenoxy)butanamide
CID 28635218
N-benzyl-2-(3-methoxyphenoxy)butanamide
CID 13206446

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3-methoxyphenoxy)-N-[2-[(3-methylphenyl)methylsulfanyl]ethyl]butanamide?
The IUPAC name of (2R)-2-(3-methoxyphenoxy)-N-[2-[(3-methylphenyl)methylsulfanyl]ethyl]butanamide (CID 99951170) is (2R)-2-(3-methoxyphenoxy)-N-[2-[(3-methylphenyl)methylsulfanyl]ethyl]butanamide.
What is the SMILES notation for (2R)-2-(3-methoxyphenoxy)-N-[2-[(3-methylphenyl)methylsulfanyl]ethyl]butanamide?
The canonical SMILES for (2R)-2-(3-methoxyphenoxy)-N-[2-[(3-methylphenyl)methylsulfanyl]ethyl]butanamide is CC[C@@H](Oc1cccc(OC)c1)C(=O)NCCSCc1cccc(C)c1.
What is the InChIKey of (2R)-2-(3-methoxyphenoxy)-N-[2-[(3-methylphenyl)methylsulfanyl]ethyl]butanamide?
The InChIKey is VERBNPNNLBBNQX-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H27NO3S/c1-4-20(25-19-10-6-9-18(14-19)24-3)21(23)22-11-12-26-15-17-8-5-7-16(2)13-17/h5-10,13-14,20H,4,11-12,15H2,1-3H3,(H,22,23)/t20-/m1/s1.
What are the key properties of (2R)-2-(3-methoxyphenoxy)-N-[2-[(3-methylphenyl)methylsulfanyl]ethyl]butanamide?
(2R)-2-(3-methoxyphenoxy)-N-[2-[(3-methylphenyl)methylsulfanyl]ethyl]butanamide has a molecular weight of 373.52 g/mol, XLogP of 4.21, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3-methoxyphenoxy)-N-[2-[(3-methylphenyl)methylsulfanyl]ethyl]butanamide is sourced from PubChem (CID 99951170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).