2-[methyl(2-phenoxyethyl)amino]-N-[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]acetamide

C23H26N2O2S — CID 51565240

IUPAC2-[methyl(2-phenoxyethyl)amino]-N-[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]acetamide
SMILESCc1ccc([C@H](NC(=O)CN(C)CCOc2ccccc2)c2cccs2)cc1
InChIInChI=1S/C23H26N2O2S/c1-18-10-12-19(13-11-18)23(21-9-6-16-28-21)24-22(26)17-25(2)14-15-27-20-7-4-3-5-8-20/h3-13,16,23H,14-15,17H2,1-2H3,(H,24,26)/t23-/m0/s1
InChIKeyCOVNKMIEXZIRGF-QHCPKHFHSA-N
MW394.54 g/mol
LogP4.27
Rot. Bonds9

About 2-[methyl(2-phenoxyethyl)amino]-N-[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]acetamide

2-[methyl(2-phenoxyethyl)amino]-N-[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]acetamide (PubChem CID 51565240) has the molecular formula C23H26N2O2S and a molecular weight of 394.54 g/mol. Its IUPAC name is 2-[methyl(2-phenoxyethyl)amino]-N-[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]acetamide.

Molecular Properties

Compound Name2-[methyl(2-phenoxyethyl)amino]-N-[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]acetamide
PubChem CID51565240
Molecular FormulaC23H26N2O2S
Molecular Weight394.54 g/mol
Exact Mass394.17
IUPAC Name2-[methyl(2-phenoxyethyl)amino]-N-[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]acetamide
SMILESCc1ccc([C@H](NC(=O)CN(C)CCOc2ccccc2)c2cccs2)cc1
InChIInChI=1S/C23H26N2O2S/c1-18-10-12-19(13-11-18)23(21-9-6-16-28-21)24-22(26)17-25(2)14-15-27-20-7-4-3-5-8-20/h3-13,16,23H,14-15,17H2,1-2H3,(H,24,26)/t23-/m0/s1
InChIKeyCOVNKMIEXZIRGF-QHCPKHFHSA-N
XLogP4.27
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.54
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[methyl(2-phenoxyethyl)amino]-N-[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]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

2-[methyl-[(4-methylphenyl)methyl]amino]-N-[phenyl(thiophen-2-yl)methyl]acetamide
CID 46614583
2-[methyl-[2-oxo-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]ethyl]amino]-N-(4-methylphenyl)acetamide
CID 8786221
2-phenoxy-N-[(S)-phenyl(thiophen-2-yl)methyl]acetamide
CID 8820676
2-(3-methylphenoxy)-N-[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]acetamide
CID 8854678
2-(3,5-dimethylphenoxy)-N-[(S)-phenyl(thiophen-2-yl)methyl]acetamide
CID 8853783
N-(2,3-dimethylphenyl)-2-[methyl-[2-oxo-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]ethyl]amino]acetamide
CID 8554161
2-[4-[2-(dimethylamino)-2-oxoethyl]piperazin-1-yl]-N-[(4-methylphenyl)-thiophen-2-ylmethyl]acetamide
CID 18088811
2-[methyl(2-phenoxyethyl)amino]-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]acetamide
CID 8754897
2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-[(4-methylphenyl)-thiophen-2-ylmethyl]acetamide
CID 46626848
3-phenoxy-N-(1-thiophen-2-ylethyl)propanamide
CID 110733991
2-(2-methoxy-5-methylphenyl)-N-[phenyl(thiophen-2-yl)methyl]acetamide
CID 24682654
[2-oxo-2-[[phenyl(thiophen-2-yl)methyl]amino]ethyl] 2-(4-methylphenyl)acetate
CID 46611974

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(2-phenoxyethyl)amino]-N-[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]acetamide?
The IUPAC name of 2-[methyl(2-phenoxyethyl)amino]-N-[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]acetamide (CID 51565240) is 2-[methyl(2-phenoxyethyl)amino]-N-[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]acetamide.
What is the SMILES notation for 2-[methyl(2-phenoxyethyl)amino]-N-[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]acetamide?
The canonical SMILES for 2-[methyl(2-phenoxyethyl)amino]-N-[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]acetamide is Cc1ccc([C@H](NC(=O)CN(C)CCOc2ccccc2)c2cccs2)cc1.
What is the InChIKey of 2-[methyl(2-phenoxyethyl)amino]-N-[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]acetamide?
The InChIKey is COVNKMIEXZIRGF-QHCPKHFHSA-N. The full InChI is InChI=1S/C23H26N2O2S/c1-18-10-12-19(13-11-18)23(21-9-6-16-28-21)24-22(26)17-25(2)14-15-27-20-7-4-3-5-8-20/h3-13,16,23H,14-15,17H2,1-2H3,(H,24,26)/t23-/m0/s1.
What are the key properties of 2-[methyl(2-phenoxyethyl)amino]-N-[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]acetamide?
2-[methyl(2-phenoxyethyl)amino]-N-[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]acetamide has a molecular weight of 394.54 g/mol, XLogP of 4.27, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(2-phenoxyethyl)amino]-N-[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]acetamide is sourced from PubChem (CID 51565240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).