N-(4-ethylphenyl)-3-thiophen-2-ylpropanamide

C15H17NOS — CID 70852355

IUPACN-(4-ethylphenyl)-3-thiophen-2-ylpropanamide
SMILESCCc1ccc(NC(=O)CCc2cccs2)cc1
InChIInChI=1S/C15H17NOS/c1-2-12-5-7-13(8-6-12)16-15(17)10-9-14-4-3-11-18-14/h3-8,11H,2,9-10H2,1H3,(H,16,17)
InChIKeyXNGZXVMIAJJWPB-UHFFFAOYSA-N
MW259.37 g/mol
LogP3.88
Rot. Bonds5

About N-(4-ethylphenyl)-3-thiophen-2-ylpropanamide

N-(4-ethylphenyl)-3-thiophen-2-ylpropanamide (PubChem CID 70852355) has the molecular formula C15H17NOS and a molecular weight of 259.37 g/mol. Its IUPAC name is N-(4-ethylphenyl)-3-thiophen-2-ylpropanamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-3-thiophen-2-ylpropanamide
PubChem CID70852355
Molecular FormulaC15H17NOS
Molecular Weight259.37 g/mol
Exact Mass259.10
IUPAC NameN-(4-ethylphenyl)-3-thiophen-2-ylpropanamide
SMILESCCc1ccc(NC(=O)CCc2cccs2)cc1
InChIInChI=1S/C15H17NOS/c1-2-12-5-7-13(8-6-12)16-15(17)10-9-14-4-3-11-18-14/h3-8,11H,2,9-10H2,1H3,(H,16,17)
InChIKeyXNGZXVMIAJJWPB-UHFFFAOYSA-N
XLogP3.88
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.37
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-iodophenyl)-3-thiophen-2-ylpropanamide
CID 2991783
4-(3-thiophen-2-ylpropanoylamino)benzamide
CID 8571859
3-thiophen-2-yl-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 4913564
N-[4-(1,3-thiazol-2-yl)phenyl]-3-thiophen-2-ylpropanamide
CID 9114606
[2-(4-ethylanilino)-2-oxoethyl] 2-thiophen-2-ylacetate
CID 7799264
N-(3,4-diethoxyphenyl)-3-thiophen-2-ylpropanamide
CID 38370894
ethyl-[2-(4-ethylanilino)-2-oxoethyl]-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]azanium
CID 8906112
N-[4-(2-methylpropanoylamino)phenyl]-4-thiophen-2-ylbutanamide
CID 26907103
N-[4-(1,3-dioxoisoindol-2-yl)phenyl]-3-thiophen-2-ylpropanamide
CID 110635875
N-(4-ethylphenyl)-2-thiophen-2-ylsulfanylacetamide
CID 23803925
N'-methyl-3-thiophen-2-ylpropanehydrazide
CID 116846300
3-(4-ethylphenyl)-1-methyl-1-(thiophen-2-ylmethyl)thiourea
CID 8681181

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-3-thiophen-2-ylpropanamide?
The IUPAC name of N-(4-ethylphenyl)-3-thiophen-2-ylpropanamide (CID 70852355) is N-(4-ethylphenyl)-3-thiophen-2-ylpropanamide.
What is the SMILES notation for N-(4-ethylphenyl)-3-thiophen-2-ylpropanamide?
The canonical SMILES for N-(4-ethylphenyl)-3-thiophen-2-ylpropanamide is CCc1ccc(NC(=O)CCc2cccs2)cc1.
What is the InChIKey of N-(4-ethylphenyl)-3-thiophen-2-ylpropanamide?
The InChIKey is XNGZXVMIAJJWPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NOS/c1-2-12-5-7-13(8-6-12)16-15(17)10-9-14-4-3-11-18-14/h3-8,11H,2,9-10H2,1H3,(H,16,17).
What are the key properties of N-(4-ethylphenyl)-3-thiophen-2-ylpropanamide?
N-(4-ethylphenyl)-3-thiophen-2-ylpropanamide has a molecular weight of 259.37 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-3-thiophen-2-ylpropanamide is sourced from PubChem (CID 70852355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).