N-cyclopropyl-3-(4-methoxyphenyl)-N-(2-thiophen-2-ylethyl)propanamide

C19H23NO2S — CID 71781408

IUPACN-cyclopropyl-3-(4-methoxyphenyl)-N-(2-thiophen-2-ylethyl)propanamide
SMILESCOc1ccc(CCC(=O)N(CCc2cccs2)C2CC2)cc1
InChIInChI=1S/C19H23NO2S/c1-22-17-9-4-15(5-10-17)6-11-19(21)20(16-7-8-16)13-12-18-3-2-14-23-18/h2-5,9-10,14,16H,6-8,11-13H2,1H3
InChIKeyQFSOPUBEVUMPOJ-UHFFFAOYSA-N
MW329.47 g/mol
LogP3.92
Rot. Bonds8

About N-cyclopropyl-3-(4-methoxyphenyl)-N-(2-thiophen-2-ylethyl)propanamide

N-cyclopropyl-3-(4-methoxyphenyl)-N-(2-thiophen-2-ylethyl)propanamide (PubChem CID 71781408) has the molecular formula C19H23NO2S and a molecular weight of 329.47 g/mol. Its IUPAC name is N-cyclopropyl-3-(4-methoxyphenyl)-N-(2-thiophen-2-ylethyl)propanamide.

Molecular Properties

Compound NameN-cyclopropyl-3-(4-methoxyphenyl)-N-(2-thiophen-2-ylethyl)propanamide
PubChem CID71781408
Molecular FormulaC19H23NO2S
Molecular Weight329.47 g/mol
Exact Mass329.14
IUPAC NameN-cyclopropyl-3-(4-methoxyphenyl)-N-(2-thiophen-2-ylethyl)propanamide
SMILESCOc1ccc(CCC(=O)N(CCc2cccs2)C2CC2)cc1
InChIInChI=1S/C19H23NO2S/c1-22-17-9-4-15(5-10-17)6-11-19(21)20(16-7-8-16)13-12-18-3-2-14-23-18/h2-5,9-10,14,16H,6-8,11-13H2,1H3
InChIKeyQFSOPUBEVUMPOJ-UHFFFAOYSA-N
XLogP3.92
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.47
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-(4-methoxyphenyl)-N-(2-thiophen-2-ylethyl)propanamide?
The IUPAC name of N-cyclopropyl-3-(4-methoxyphenyl)-N-(2-thiophen-2-ylethyl)propanamide (CID 71781408) is N-cyclopropyl-3-(4-methoxyphenyl)-N-(2-thiophen-2-ylethyl)propanamide.
What is the SMILES notation for N-cyclopropyl-3-(4-methoxyphenyl)-N-(2-thiophen-2-ylethyl)propanamide?
The canonical SMILES for N-cyclopropyl-3-(4-methoxyphenyl)-N-(2-thiophen-2-ylethyl)propanamide is COc1ccc(CCC(=O)N(CCc2cccs2)C2CC2)cc1.
What is the InChIKey of N-cyclopropyl-3-(4-methoxyphenyl)-N-(2-thiophen-2-ylethyl)propanamide?
The InChIKey is QFSOPUBEVUMPOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO2S/c1-22-17-9-4-15(5-10-17)6-11-19(21)20(16-7-8-16)13-12-18-3-2-14-23-18/h2-5,9-10,14,16H,6-8,11-13H2,1H3.
What are the key properties of N-cyclopropyl-3-(4-methoxyphenyl)-N-(2-thiophen-2-ylethyl)propanamide?
N-cyclopropyl-3-(4-methoxyphenyl)-N-(2-thiophen-2-ylethyl)propanamide has a molecular weight of 329.47 g/mol, XLogP of 3.92, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-(4-methoxyphenyl)-N-(2-thiophen-2-ylethyl)propanamide is sourced from PubChem (CID 71781408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).