N-(1-thiophen-2-ylethyl)-2-(2,3,4-trimethoxyphenyl)acetamide

C17H21NO4S — CID 18090212

IUPACN-(1-thiophen-2-ylethyl)-2-(2,3,4-trimethoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)NC(C)c2cccs2)c(OC)c1OC
InChIInChI=1S/C17H21NO4S/c1-11(14-6-5-9-23-14)18-15(19)10-12-7-8-13(20-2)17(22-4)16(12)21-3/h5-9,11H,10H2,1-4H3,(H,18,19)
InChIKeyLDWOODPCBCQHQF-UHFFFAOYSA-N
MW335.43 g/mol
LogP3.19
Rot. Bonds7

About N-(1-thiophen-2-ylethyl)-2-(2,3,4-trimethoxyphenyl)acetamide

N-(1-thiophen-2-ylethyl)-2-(2,3,4-trimethoxyphenyl)acetamide (PubChem CID 18090212) has the molecular formula C17H21NO4S and a molecular weight of 335.43 g/mol. Its IUPAC name is N-(1-thiophen-2-ylethyl)-2-(2,3,4-trimethoxyphenyl)acetamide.

Molecular Properties

Compound NameN-(1-thiophen-2-ylethyl)-2-(2,3,4-trimethoxyphenyl)acetamide
PubChem CID18090212
Molecular FormulaC17H21NO4S
Molecular Weight335.43 g/mol
Exact Mass335.12
IUPAC NameN-(1-thiophen-2-ylethyl)-2-(2,3,4-trimethoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)NC(C)c2cccs2)c(OC)c1OC
InChIInChI=1S/C17H21NO4S/c1-11(14-6-5-9-23-14)18-15(19)10-12-7-8-13(20-2)17(22-4)16(12)21-3/h5-9,11H,10H2,1-4H3,(H,18,19)
InChIKeyLDWOODPCBCQHQF-UHFFFAOYSA-N
XLogP3.19
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1S)-1-(2-bromophenyl)ethyl]-2-(2,3,4-trimethoxyphenyl)acetamide
CID 9090600
N-[(1R)-1-(4-fluorophenyl)ethyl]-2-(2,3,4-trimethoxyphenyl)acetamide
CID 9089452
N-[(1R)-1-thiophen-2-ylethyl]-3-(3,4,5-trimethoxyphenyl)propanamide
CID 33466694
N-pentan-2-yl-2-(2,3,4-trimethoxyphenyl)acetamide
CID 18089547
[2-oxo-2-[[(1S)-1-thiophen-2-ylethyl]amino]ethyl] 2-(3,4,5-trimethoxyphenyl)acetate
CID 8013665
N-(2-methyl-1-phenylpropyl)-2-(2,3,4-trimethoxyphenyl)acetamide
CID 18090606
N-propan-2-yl-2-[(2,3,4-trimethoxyphenyl)methylamino]acetamide
CID 43400025
2-[2-(aminomethyl)phenyl]-N-(1-thiophen-2-ylethyl)acetamide
CID 81317529
2-(4-aminophenyl)-N-[(1R)-1-thiophen-2-ylethyl]acetamide
CID 81408318
2-(4-methoxyphenyl)sulfanyl-N-(1-thiophen-2-ylethyl)acetamide
CID 78791455
[2-oxo-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethyl] 2-(3-fluoro-4-methoxyphenyl)acetate
CID 8667487
[2-oxo-2-[[(1S)-1-thiophen-2-ylethyl]amino]ethyl] 3-methoxynaphthalene-2-carboxylate
CID 8663634

Frequently Asked Questions

What is the IUPAC name of N-(1-thiophen-2-ylethyl)-2-(2,3,4-trimethoxyphenyl)acetamide?
The IUPAC name of N-(1-thiophen-2-ylethyl)-2-(2,3,4-trimethoxyphenyl)acetamide (CID 18090212) is N-(1-thiophen-2-ylethyl)-2-(2,3,4-trimethoxyphenyl)acetamide.
What is the SMILES notation for N-(1-thiophen-2-ylethyl)-2-(2,3,4-trimethoxyphenyl)acetamide?
The canonical SMILES for N-(1-thiophen-2-ylethyl)-2-(2,3,4-trimethoxyphenyl)acetamide is COc1ccc(CC(=O)NC(C)c2cccs2)c(OC)c1OC.
What is the InChIKey of N-(1-thiophen-2-ylethyl)-2-(2,3,4-trimethoxyphenyl)acetamide?
The InChIKey is LDWOODPCBCQHQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO4S/c1-11(14-6-5-9-23-14)18-15(19)10-12-7-8-13(20-2)17(22-4)16(12)21-3/h5-9,11H,10H2,1-4H3,(H,18,19).
What are the key properties of N-(1-thiophen-2-ylethyl)-2-(2,3,4-trimethoxyphenyl)acetamide?
N-(1-thiophen-2-ylethyl)-2-(2,3,4-trimethoxyphenyl)acetamide has a molecular weight of 335.43 g/mol, XLogP of 3.19, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-thiophen-2-ylethyl)-2-(2,3,4-trimethoxyphenyl)acetamide is sourced from PubChem (CID 18090212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).