3-methyl-2-(4-methylphenoxy)-N-(thiophen-2-ylmethyl)pentanamide

C18H23NO2S — CID 174883197

IUPAC3-methyl-2-(4-methylphenoxy)-N-(thiophen-2-ylmethyl)pentanamide
SMILESCCC(C)C(Oc1ccc(C)cc1)C(=O)NCc1cccs1
InChIInChI=1S/C18H23NO2S/c1-4-14(3)17(21-15-9-7-13(2)8-10-15)18(20)19-12-16-6-5-11-22-16/h5-11,14,17H,4,12H2,1-3H3,(H,19,20)
InChIKeySEECMMOHDVKZSG-UHFFFAOYSA-N
MW317.45 g/mol
LogP4.17
Rot. Bonds7

About 3-methyl-2-(4-methylphenoxy)-N-(thiophen-2-ylmethyl)pentanamide

3-methyl-2-(4-methylphenoxy)-N-(thiophen-2-ylmethyl)pentanamide (PubChem CID 174883197) has the molecular formula C18H23NO2S and a molecular weight of 317.45 g/mol. Its IUPAC name is 3-methyl-2-(4-methylphenoxy)-N-(thiophen-2-ylmethyl)pentanamide.

Molecular Properties

Compound Name3-methyl-2-(4-methylphenoxy)-N-(thiophen-2-ylmethyl)pentanamide
PubChem CID174883197
Molecular FormulaC18H23NO2S
Molecular Weight317.45 g/mol
Exact Mass317.14
IUPAC Name3-methyl-2-(4-methylphenoxy)-N-(thiophen-2-ylmethyl)pentanamide
SMILESCCC(C)C(Oc1ccc(C)cc1)C(=O)NCc1cccs1
InChIInChI=1S/C18H23NO2S/c1-4-14(3)17(21-15-9-7-13(2)8-10-15)18(20)19-12-16-6-5-11-22-16/h5-11,14,17H,4,12H2,1-3H3,(H,19,20)
InChIKeySEECMMOHDVKZSG-UHFFFAOYSA-N
XLogP4.17
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.45
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-methyl-2-(4-methylphenoxy)-N-(thiophen-2-ylmethyl)pentanamide 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-(4-methylphenoxy)-N-(thiophen-2-ylmethyl)propanamide
CID 42994656
(2S,3S)-2-amino-3-methyl-N-(thiophen-2-ylmethyl)pentanamide
CID 42307464
2-(3-methylphenoxy)-N-(thiophen-2-ylmethyl)butanamide
CID 4928633
2-(3-fluoro-4-methylphenoxy)-N-(thiophen-2-ylmethyl)butanamide
CID 123946292
ethyl 3-methyl-2-(thiophen-2-ylmethylamino)pentanoate
CID 61319361
2-methyl-3-oxo-3-(thiophen-2-ylmethylamino)propanoic acid
CID 114897313
2-(3-chlorophenoxy)-N-(thiophen-2-ylmethyl)butanamide
CID 2970792
4-propan-2-yloxy-N-(thiophen-2-ylmethylcarbamothioyl)benzamide
CID 4952306
2-(4-methylphenoxy)-3-thiophen-2-ylpropanamide
CID 135281307
(2S)-2-(2,4-dimethylphenyl)sulfanyl-N-(thiophen-2-ylmethyl)propanamide
CID 8734748
N-ethyl-2-(4-methylphenoxy)-N-(thiophen-2-ylmethyl)propanamide
CID 67512330
4-methyl-N-(thiophen-2-ylmethyl)benzenecarbothioamide;propane
CID 142937606

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(4-methylphenoxy)-N-(thiophen-2-ylmethyl)pentanamide?
The IUPAC name of 3-methyl-2-(4-methylphenoxy)-N-(thiophen-2-ylmethyl)pentanamide (CID 174883197) is 3-methyl-2-(4-methylphenoxy)-N-(thiophen-2-ylmethyl)pentanamide.
What is the SMILES notation for 3-methyl-2-(4-methylphenoxy)-N-(thiophen-2-ylmethyl)pentanamide?
The canonical SMILES for 3-methyl-2-(4-methylphenoxy)-N-(thiophen-2-ylmethyl)pentanamide is CCC(C)C(Oc1ccc(C)cc1)C(=O)NCc1cccs1.
What is the InChIKey of 3-methyl-2-(4-methylphenoxy)-N-(thiophen-2-ylmethyl)pentanamide?
The InChIKey is SEECMMOHDVKZSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2S/c1-4-14(3)17(21-15-9-7-13(2)8-10-15)18(20)19-12-16-6-5-11-22-16/h5-11,14,17H,4,12H2,1-3H3,(H,19,20).
What are the key properties of 3-methyl-2-(4-methylphenoxy)-N-(thiophen-2-ylmethyl)pentanamide?
3-methyl-2-(4-methylphenoxy)-N-(thiophen-2-ylmethyl)pentanamide has a molecular weight of 317.45 g/mol, XLogP of 4.17, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(4-methylphenoxy)-N-(thiophen-2-ylmethyl)pentanamide is sourced from PubChem (CID 174883197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).