3-(2,3-dimethylphenoxy)-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)propanamide

C21H27NO3S — CID 55595482

IUPAC3-(2,3-dimethylphenoxy)-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)propanamide
SMILESCc1cccc(OCCC(=O)N(Cc2cccs2)CC2CCCO2)c1C
InChIInChI=1S/C21H27NO3S/c1-16-6-3-9-20(17(16)2)25-12-10-21(23)22(14-18-7-4-11-24-18)15-19-8-5-13-26-19/h3,5-6,8-9,13,18H,4,7,10-12,14-15H2,1-2H3
InChIKeyLSNGKFOLBMHWER-UHFFFAOYSA-N
MW373.52 g/mol
LogP4.34
Rot. Bonds8

About 3-(2,3-dimethylphenoxy)-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)propanamide

3-(2,3-dimethylphenoxy)-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)propanamide (PubChem CID 55595482) has the molecular formula C21H27NO3S and a molecular weight of 373.52 g/mol. Its IUPAC name is 3-(2,3-dimethylphenoxy)-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)propanamide.

Molecular Properties

Compound Name3-(2,3-dimethylphenoxy)-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)propanamide
PubChem CID55595482
Molecular FormulaC21H27NO3S
Molecular Weight373.52 g/mol
Exact Mass373.17
IUPAC Name3-(2,3-dimethylphenoxy)-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)propanamide
SMILESCc1cccc(OCCC(=O)N(Cc2cccs2)CC2CCCO2)c1C
InChIInChI=1S/C21H27NO3S/c1-16-6-3-9-20(17(16)2)25-12-10-21(23)22(14-18-7-4-11-24-18)15-19-8-5-13-26-19/h3,5-6,8-9,13,18H,4,7,10-12,14-15H2,1-2H3
InChIKeyLSNGKFOLBMHWER-UHFFFAOYSA-N
XLogP4.34
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.52
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3,5-dimethylphenoxy)-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)propanamide
CID 55567666
N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)butanamide
CID 60717923
4-(4-methylphenyl)-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)butanamide
CID 55773459
1-[[(2R)-oxolan-2-yl]methyl]-1-(thiophen-2-ylmethyl)urea
CID 95581392
3-(4-fluorophenyl)-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)propanamide
CID 78810035
2-(3-methylphenoxy)-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)acetamide
CID 55438272
3-(4-methylpyrazol-1-yl)-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)propanamide
CID 87044999
3-amino-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)butanamide
CID 54869247
3-(2,5-dimethoxyphenyl)-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)propanamide
CID 134047491
N-(oxolan-2-ylmethyl)-2-(propylamino)-N-(thiophen-2-ylmethyl)acetamide
CID 60687494
3-(1,3-dioxoisoindol-2-yl)-N-[[(2R)-oxolan-2-yl]methyl]-N-(thiophen-2-ylmethyl)propanamide
CID 9194353
N-(oxolan-2-ylmethyl)-3-[(2-phenylacetyl)amino]-N-(thiophen-2-ylmethyl)propanamide
CID 134012194

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dimethylphenoxy)-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)propanamide?
The IUPAC name of 3-(2,3-dimethylphenoxy)-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)propanamide (CID 55595482) is 3-(2,3-dimethylphenoxy)-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)propanamide.
What is the SMILES notation for 3-(2,3-dimethylphenoxy)-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)propanamide?
The canonical SMILES for 3-(2,3-dimethylphenoxy)-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)propanamide is Cc1cccc(OCCC(=O)N(Cc2cccs2)CC2CCCO2)c1C.
What is the InChIKey of 3-(2,3-dimethylphenoxy)-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)propanamide?
The InChIKey is LSNGKFOLBMHWER-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO3S/c1-16-6-3-9-20(17(16)2)25-12-10-21(23)22(14-18-7-4-11-24-18)15-19-8-5-13-26-19/h3,5-6,8-9,13,18H,4,7,10-12,14-15H2,1-2H3.
What are the key properties of 3-(2,3-dimethylphenoxy)-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)propanamide?
3-(2,3-dimethylphenoxy)-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)propanamide has a molecular weight of 373.52 g/mol, XLogP of 4.34, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dimethylphenoxy)-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)propanamide is sourced from PubChem (CID 55595482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).