N-ethyl-3-(4-methylphenyl)-N-(thiophen-2-ylmethyl)propanamide

C17H21NOS — CID 67512015

IUPACN-ethyl-3-(4-methylphenyl)-N-(thiophen-2-ylmethyl)propanamide
SMILESCCN(Cc1cccs1)C(=O)CCc1ccc(C)cc1
InChIInChI=1S/C17H21NOS/c1-3-18(13-16-5-4-12-20-16)17(19)11-10-15-8-6-14(2)7-9-15/h4-9,12H,3,10-11,13H2,1-2H3
InChIKeyJZNKOLIQDABMIX-UHFFFAOYSA-N
MW287.43 g/mol
LogP4.04
Rot. Bonds6

About N-ethyl-3-(4-methylphenyl)-N-(thiophen-2-ylmethyl)propanamide

N-ethyl-3-(4-methylphenyl)-N-(thiophen-2-ylmethyl)propanamide (PubChem CID 67512015) has the molecular formula C17H21NOS and a molecular weight of 287.43 g/mol. Its IUPAC name is N-ethyl-3-(4-methylphenyl)-N-(thiophen-2-ylmethyl)propanamide.

Molecular Properties

Compound NameN-ethyl-3-(4-methylphenyl)-N-(thiophen-2-ylmethyl)propanamide
PubChem CID67512015
Molecular FormulaC17H21NOS
Molecular Weight287.43 g/mol
Exact Mass287.13
IUPAC NameN-ethyl-3-(4-methylphenyl)-N-(thiophen-2-ylmethyl)propanamide
SMILESCCN(Cc1cccs1)C(=O)CCc1ccc(C)cc1
InChIInChI=1S/C17H21NOS/c1-3-18(13-16-5-4-12-20-16)17(19)11-10-15-8-6-14(2)7-9-15/h4-9,12H,3,10-11,13H2,1-2H3
InChIKeyJZNKOLIQDABMIX-UHFFFAOYSA-N
XLogP4.04
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.43
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(4-methylphenyl)-N-(thiophen-2-ylmethyl)propanamide?
The IUPAC name of N-ethyl-3-(4-methylphenyl)-N-(thiophen-2-ylmethyl)propanamide (CID 67512015) is N-ethyl-3-(4-methylphenyl)-N-(thiophen-2-ylmethyl)propanamide.
What is the SMILES notation for N-ethyl-3-(4-methylphenyl)-N-(thiophen-2-ylmethyl)propanamide?
The canonical SMILES for N-ethyl-3-(4-methylphenyl)-N-(thiophen-2-ylmethyl)propanamide is CCN(Cc1cccs1)C(=O)CCc1ccc(C)cc1.
What is the InChIKey of N-ethyl-3-(4-methylphenyl)-N-(thiophen-2-ylmethyl)propanamide?
The InChIKey is JZNKOLIQDABMIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NOS/c1-3-18(13-16-5-4-12-20-16)17(19)11-10-15-8-6-14(2)7-9-15/h4-9,12H,3,10-11,13H2,1-2H3.
What are the key properties of N-ethyl-3-(4-methylphenyl)-N-(thiophen-2-ylmethyl)propanamide?
N-ethyl-3-(4-methylphenyl)-N-(thiophen-2-ylmethyl)propanamide has a molecular weight of 287.43 g/mol, XLogP of 4.04, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(4-methylphenyl)-N-(thiophen-2-ylmethyl)propanamide is sourced from PubChem (CID 67512015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).