N-butan-2-yl-2-(4-methylphenoxy)-N-(thiophen-2-ylmethyl)acetamide

C18H23NO2S — CID 67510887

IUPACN-butan-2-yl-2-(4-methylphenoxy)-N-(thiophen-2-ylmethyl)acetamide
SMILESCCC(C)N(Cc1cccs1)C(=O)COc1ccc(C)cc1
InChIInChI=1S/C18H23NO2S/c1-4-15(3)19(12-17-6-5-11-22-17)18(20)13-21-16-9-7-14(2)8-10-16/h5-11,15H,4,12-13H2,1-3H3
InChIKeyMZNURFDNNYUXFY-UHFFFAOYSA-N
MW317.45 g/mol
LogP4.26
Rot. Bonds7

About N-butan-2-yl-2-(4-methylphenoxy)-N-(thiophen-2-ylmethyl)acetamide

N-butan-2-yl-2-(4-methylphenoxy)-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 67510887) has the molecular formula C18H23NO2S and a molecular weight of 317.45 g/mol. Its IUPAC name is N-butan-2-yl-2-(4-methylphenoxy)-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound NameN-butan-2-yl-2-(4-methylphenoxy)-N-(thiophen-2-ylmethyl)acetamide
PubChem CID67510887
Molecular FormulaC18H23NO2S
Molecular Weight317.45 g/mol
Exact Mass317.14
IUPAC NameN-butan-2-yl-2-(4-methylphenoxy)-N-(thiophen-2-ylmethyl)acetamide
SMILESCCC(C)N(Cc1cccs1)C(=O)COc1ccc(C)cc1
InChIInChI=1S/C18H23NO2S/c1-4-15(3)19(12-17-6-5-11-22-17)18(20)13-21-16-9-7-14(2)8-10-16/h5-11,15H,4,12-13H2,1-3H3
InChIKeyMZNURFDNNYUXFY-UHFFFAOYSA-N
XLogP4.26
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.45
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-(4-methylphenoxy)-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of N-butan-2-yl-2-(4-methylphenoxy)-N-(thiophen-2-ylmethyl)acetamide (CID 67510887) is N-butan-2-yl-2-(4-methylphenoxy)-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for N-butan-2-yl-2-(4-methylphenoxy)-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for N-butan-2-yl-2-(4-methylphenoxy)-N-(thiophen-2-ylmethyl)acetamide is CCC(C)N(Cc1cccs1)C(=O)COc1ccc(C)cc1.
What is the InChIKey of N-butan-2-yl-2-(4-methylphenoxy)-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is MZNURFDNNYUXFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2S/c1-4-15(3)19(12-17-6-5-11-22-17)18(20)13-21-16-9-7-14(2)8-10-16/h5-11,15H,4,12-13H2,1-3H3.
What are the key properties of N-butan-2-yl-2-(4-methylphenoxy)-N-(thiophen-2-ylmethyl)acetamide?
N-butan-2-yl-2-(4-methylphenoxy)-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 317.45 g/mol, XLogP of 4.26, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-(4-methylphenoxy)-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 67510887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).