4-ethyl-N-(2-methoxy-2-thiophen-3-ylethyl)benzamide

C16H19NO2S — CID 90583852

IUPAC4-ethyl-N-(2-methoxy-2-thiophen-3-ylethyl)benzamide
SMILESCCc1ccc(C(=O)NCC(OC)c2ccsc2)cc1
InChIInChI=1S/C16H19NO2S/c1-3-12-4-6-13(7-5-12)16(18)17-10-15(19-2)14-8-9-20-11-14/h4-9,11,15H,3,10H2,1-2H3,(H,17,18)
InChIKeyGWDVMNSTKDYPNE-UHFFFAOYSA-N
MW289.40 g/mol
LogP3.43
Rot. Bonds6

About 4-ethyl-N-(2-methoxy-2-thiophen-3-ylethyl)benzamide

4-ethyl-N-(2-methoxy-2-thiophen-3-ylethyl)benzamide (PubChem CID 90583852) has the molecular formula C16H19NO2S and a molecular weight of 289.40 g/mol. Its IUPAC name is 4-ethyl-N-(2-methoxy-2-thiophen-3-ylethyl)benzamide.

Molecular Properties

Compound Name4-ethyl-N-(2-methoxy-2-thiophen-3-ylethyl)benzamide
PubChem CID90583852
Molecular FormulaC16H19NO2S
Molecular Weight289.40 g/mol
Exact Mass289.11
IUPAC Name4-ethyl-N-(2-methoxy-2-thiophen-3-ylethyl)benzamide
SMILESCCc1ccc(C(=O)NCC(OC)c2ccsc2)cc1
InChIInChI=1S/C16H19NO2S/c1-3-12-4-6-13(7-5-12)16(18)17-10-15(19-2)14-8-9-20-11-14/h4-9,11,15H,3,10H2,1-2H3,(H,17,18)
InChIKeyGWDVMNSTKDYPNE-UHFFFAOYSA-N
XLogP3.43
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methoxy-2-thiophen-3-ylethyl)thiophene-3-carboxamide
CID 71804732
4-ethyl-N-(2-hydroxy-2-thiophen-3-ylethyl)benzamide
CID 90496459
N-(2-methoxy-2-thiophen-3-ylethyl)-4-phenoxybenzamide
CID 90583960
4-ethyl-N-(3-hydroxy-3-thiophen-3-ylpropyl)benzamide
CID 121132069
ethyl N-(2-methoxy-2-thiophen-3-ylethyl)carbamate
CID 71804729
2,6-dimethoxy-N-(2-methoxy-2-thiophen-3-ylethyl)benzamide
CID 90583915
4-ethyl-N-[2-methoxy-2-(3-methoxyphenyl)ethyl]benzamide
CID 90623280
4-bromo-N-[(2S)-2-methoxy-2-thiophen-3-ylethyl]thiophene-2-carboxamide
CID 97427365
2-ethylsulfanyl-N-[(2R)-2-methoxy-2-thiophen-3-ylethyl]benzamide
CID 97414435
N-(2-methoxy-2-thiophen-3-ylethyl)pentanamide
CID 90583823
1-(2-methoxyethyl)-3-[(2R)-2-methoxy-2-thiophen-3-ylethyl]urea
CID 97414529
2-bromo-N-(2-methoxy-2-thiophen-3-ylethyl)benzamide
CID 90583943

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-(2-methoxy-2-thiophen-3-ylethyl)benzamide?
The IUPAC name of 4-ethyl-N-(2-methoxy-2-thiophen-3-ylethyl)benzamide (CID 90583852) is 4-ethyl-N-(2-methoxy-2-thiophen-3-ylethyl)benzamide.
What is the SMILES notation for 4-ethyl-N-(2-methoxy-2-thiophen-3-ylethyl)benzamide?
The canonical SMILES for 4-ethyl-N-(2-methoxy-2-thiophen-3-ylethyl)benzamide is CCc1ccc(C(=O)NCC(OC)c2ccsc2)cc1.
What is the InChIKey of 4-ethyl-N-(2-methoxy-2-thiophen-3-ylethyl)benzamide?
The InChIKey is GWDVMNSTKDYPNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2S/c1-3-12-4-6-13(7-5-12)16(18)17-10-15(19-2)14-8-9-20-11-14/h4-9,11,15H,3,10H2,1-2H3,(H,17,18).
What are the key properties of 4-ethyl-N-(2-methoxy-2-thiophen-3-ylethyl)benzamide?
4-ethyl-N-(2-methoxy-2-thiophen-3-ylethyl)benzamide has a molecular weight of 289.40 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-(2-methoxy-2-thiophen-3-ylethyl)benzamide is sourced from PubChem (CID 90583852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).