N-cyclopropyl-2-(4-methylphenoxy)-N-(thiophen-2-ylmethyl)acetamide

C17H19NO2S — CID 67510848

IUPACN-cyclopropyl-2-(4-methylphenoxy)-N-(thiophen-2-ylmethyl)acetamide
SMILESCc1ccc(OCC(=O)N(Cc2cccs2)C2CC2)cc1
InChIInChI=1S/C17H19NO2S/c1-13-4-8-15(9-5-13)20-12-17(19)18(14-6-7-14)11-16-3-2-10-21-16/h2-5,8-10,14H,6-7,11-12H2,1H3
InChIKeyFZSFDTMPRZYMKF-UHFFFAOYSA-N
MW301.41 g/mol
LogP3.63
Rot. Bonds6

About N-cyclopropyl-2-(4-methylphenoxy)-N-(thiophen-2-ylmethyl)acetamide

N-cyclopropyl-2-(4-methylphenoxy)-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 67510848) has the molecular formula C17H19NO2S and a molecular weight of 301.41 g/mol. Its IUPAC name is N-cyclopropyl-2-(4-methylphenoxy)-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-(4-methylphenoxy)-N-(thiophen-2-ylmethyl)acetamide
PubChem CID67510848
Molecular FormulaC17H19NO2S
Molecular Weight301.41 g/mol
Exact Mass301.11
IUPAC NameN-cyclopropyl-2-(4-methylphenoxy)-N-(thiophen-2-ylmethyl)acetamide
SMILESCc1ccc(OCC(=O)N(Cc2cccs2)C2CC2)cc1
InChIInChI=1S/C17H19NO2S/c1-13-4-8-15(9-5-13)20-12-17(19)18(14-6-7-14)11-16-3-2-10-21-16/h2-5,8-10,14H,6-7,11-12H2,1H3
InChIKeyFZSFDTMPRZYMKF-UHFFFAOYSA-N
XLogP3.63
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-(4-methylphenoxy)-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of N-cyclopropyl-2-(4-methylphenoxy)-N-(thiophen-2-ylmethyl)acetamide (CID 67510848) is N-cyclopropyl-2-(4-methylphenoxy)-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for N-cyclopropyl-2-(4-methylphenoxy)-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for N-cyclopropyl-2-(4-methylphenoxy)-N-(thiophen-2-ylmethyl)acetamide is Cc1ccc(OCC(=O)N(Cc2cccs2)C2CC2)cc1.
What is the InChIKey of N-cyclopropyl-2-(4-methylphenoxy)-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is FZSFDTMPRZYMKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2S/c1-13-4-8-15(9-5-13)20-12-17(19)18(14-6-7-14)11-16-3-2-10-21-16/h2-5,8-10,14H,6-7,11-12H2,1H3.
What are the key properties of N-cyclopropyl-2-(4-methylphenoxy)-N-(thiophen-2-ylmethyl)acetamide?
N-cyclopropyl-2-(4-methylphenoxy)-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 301.41 g/mol, XLogP of 3.63, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-(4-methylphenoxy)-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 67510848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).