2-(3-methylphenoxy)-N-(thiophen-2-ylmethyl)butanamide

C16H19NO2S — CID 4928633

IUPAC2-(3-methylphenoxy)-N-(thiophen-2-ylmethyl)butanamide
SMILESCCC(Oc1cccc(C)c1)C(=O)NCc1cccs1
InChIInChI=1S/C16H19NO2S/c1-3-15(19-13-7-4-6-12(2)10-13)16(18)17-11-14-8-5-9-20-14/h4-10,15H,3,11H2,1-2H3,(H,17,18)
InChIKeyZOPOFAVKPGLOGP-UHFFFAOYSA-N
MW289.40 g/mol
LogP3.53
Rot. Bonds6

About 2-(3-methylphenoxy)-N-(thiophen-2-ylmethyl)butanamide

2-(3-methylphenoxy)-N-(thiophen-2-ylmethyl)butanamide (PubChem CID 4928633) has the molecular formula C16H19NO2S and a molecular weight of 289.40 g/mol. Its IUPAC name is 2-(3-methylphenoxy)-N-(thiophen-2-ylmethyl)butanamide.

Molecular Properties

Compound Name2-(3-methylphenoxy)-N-(thiophen-2-ylmethyl)butanamide
PubChem CID4928633
Molecular FormulaC16H19NO2S
Molecular Weight289.40 g/mol
Exact Mass289.11
IUPAC Name2-(3-methylphenoxy)-N-(thiophen-2-ylmethyl)butanamide
SMILESCCC(Oc1cccc(C)c1)C(=O)NCc1cccs1
InChIInChI=1S/C16H19NO2S/c1-3-15(19-13-7-4-6-12(2)10-13)16(18)17-11-14-8-5-9-20-14/h4-10,15H,3,11H2,1-2H3,(H,17,18)
InChIKeyZOPOFAVKPGLOGP-UHFFFAOYSA-N
XLogP3.53
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chlorophenoxy)-N-(thiophen-2-ylmethyl)butanamide
CID 2970792
2-(3-fluoro-4-methylphenoxy)-N-(thiophen-2-ylmethyl)butanamide
CID 123946292
(2S)-N-[(4-fluorophenyl)methyl]-2-(3-methylphenoxy)butanamide
CID 99131487
2-(3-methylphenoxy)-N-[(3-propan-2-yloxyphenyl)methyl]butanamide
CID 43904963
3-methyl-2-(4-methylphenoxy)-N-(thiophen-2-ylmethyl)pentanamide
CID 174883197
N-[(2,5-diethylphenyl)methyl]-2-(3-methylphenoxy)butanamide
CID 133162435
N-(3-methylbutyl)-2-(3-methylphenoxy)butanamide
CID 46764187
N-[(3,4-dimethoxyphenyl)methyl]-2-(3-methylphenoxy)butanamide
CID 46769433
(2S)-2-(3-methylanilino)-N-(thiophen-2-ylmethyl)propanamide
CID 94821156
N-[(2R)-2-(ethylamino)propyl]-2-(3-methylphenoxy)butanamide;hydrochloride
CID 120652172
(2S)-N-tert-butyl-2-(3-methylphenoxy)butanamide
CID 92672891
2-(3-methylphenoxy)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]butanamide
CID 133187856

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenoxy)-N-(thiophen-2-ylmethyl)butanamide?
The IUPAC name of 2-(3-methylphenoxy)-N-(thiophen-2-ylmethyl)butanamide (CID 4928633) is 2-(3-methylphenoxy)-N-(thiophen-2-ylmethyl)butanamide.
What is the SMILES notation for 2-(3-methylphenoxy)-N-(thiophen-2-ylmethyl)butanamide?
The canonical SMILES for 2-(3-methylphenoxy)-N-(thiophen-2-ylmethyl)butanamide is CCC(Oc1cccc(C)c1)C(=O)NCc1cccs1.
What is the InChIKey of 2-(3-methylphenoxy)-N-(thiophen-2-ylmethyl)butanamide?
The InChIKey is ZOPOFAVKPGLOGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2S/c1-3-15(19-13-7-4-6-12(2)10-13)16(18)17-11-14-8-5-9-20-14/h4-10,15H,3,11H2,1-2H3,(H,17,18).
What are the key properties of 2-(3-methylphenoxy)-N-(thiophen-2-ylmethyl)butanamide?
2-(3-methylphenoxy)-N-(thiophen-2-ylmethyl)butanamide has a molecular weight of 289.40 g/mol, XLogP of 3.53, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenoxy)-N-(thiophen-2-ylmethyl)butanamide is sourced from PubChem (CID 4928633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).