N-[5-ethyl-3-(4-methoxybenzoyl)thiophen-2-yl]-2-phenoxyacetamide

C22H21NO4S — CID 2814367

IUPACN-[5-ethyl-3-(4-methoxybenzoyl)thiophen-2-yl]-2-phenoxyacetamide
SMILESCCc1cc(C(=O)c2ccc(OC)cc2)c(NC(=O)COc2ccccc2)s1
InChIInChI=1S/C22H21NO4S/c1-3-18-13-19(21(25)15-9-11-16(26-2)12-10-15)22(28-18)23-20(24)14-27-17-7-5-4-6-8-17/h4-13H,3,14H2,1-2H3,(H,23,24)
InChIKeyANYCJLAXNMYTHL-UHFFFAOYSA-N
MW395.48 g/mol
LogP4.57
Rot. Bonds8

About N-[5-ethyl-3-(4-methoxybenzoyl)thiophen-2-yl]-2-phenoxyacetamide

N-[5-ethyl-3-(4-methoxybenzoyl)thiophen-2-yl]-2-phenoxyacetamide (PubChem CID 2814367) has the molecular formula C22H21NO4S and a molecular weight of 395.48 g/mol. Its IUPAC name is N-[5-ethyl-3-(4-methoxybenzoyl)thiophen-2-yl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[5-ethyl-3-(4-methoxybenzoyl)thiophen-2-yl]-2-phenoxyacetamide
PubChem CID2814367
Molecular FormulaC22H21NO4S
Molecular Weight395.48 g/mol
Exact Mass395.12
IUPAC NameN-[5-ethyl-3-(4-methoxybenzoyl)thiophen-2-yl]-2-phenoxyacetamide
SMILESCCc1cc(C(=O)c2ccc(OC)cc2)c(NC(=O)COc2ccccc2)s1
InChIInChI=1S/C22H21NO4S/c1-3-18-13-19(21(25)15-9-11-16(26-2)12-10-15)22(28-18)23-20(24)14-27-17-7-5-4-6-8-17/h4-13H,3,14H2,1-2H3,(H,23,24)
InChIKeyANYCJLAXNMYTHL-UHFFFAOYSA-N
XLogP4.57
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.48
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-ethyl-3-(4-methoxybenzoyl)thiophen-2-yl]-4-methoxybenzamide
CID 2814381
5-ethyl-2-[[2-(4-ethylphenoxy)acetyl]amino]thiophene-3-carboxylic acid
CID 28858997
2-[2-[[5-ethyl-3-(4-methoxybenzoyl)thiophen-2-yl]amino]-2-oxoethyl]sulfanylpropanoic acid
CID 59233518
N-[5-ethyl-3-(4-methoxybenzoyl)thiophen-2-yl]-2-pyrrolidin-1-ium-1-ylacetamide
CID 7195031
2-[[2-(4-chlorophenoxy)acetyl]amino]-5-ethylthiophene-3-carboxylic acid
CID 28858939
ethyl 2-[[2-(4-acetylphenoxy)acetyl]amino]-5-ethylthiophene-3-carboxylate
CID 7763780
ethyl 5-ethyl-2-[[2-(2-phenoxyacetyl)oxyacetyl]amino]thiophene-3-carboxylate
CID 7696881
N-[3-[[2-(4-methoxyphenoxy)acetyl]amino]phenyl]-2-phenoxyacetamide
CID 17231339
2-[[2-(4-methoxyphenoxy)acetyl]amino]thiophene-3-carboxylic acid
CID 43357234
ethyl 5-ethyl-2-[[2-(2-formyl-4-methoxyphenoxy)acetyl]amino]thiophene-3-carboxylate
CID 8633848
ethyl 2-[[2-[4-(4-cyanophenyl)phenoxy]acetyl]amino]-5-ethylthiophene-3-carboxylate
CID 16521235
2-(4-methoxyphenoxy)-N-(4-phenoxyphenyl)acetamide
CID 833180

Frequently Asked Questions

What is the IUPAC name of N-[5-ethyl-3-(4-methoxybenzoyl)thiophen-2-yl]-2-phenoxyacetamide?
The IUPAC name of N-[5-ethyl-3-(4-methoxybenzoyl)thiophen-2-yl]-2-phenoxyacetamide (CID 2814367) is N-[5-ethyl-3-(4-methoxybenzoyl)thiophen-2-yl]-2-phenoxyacetamide.
What is the SMILES notation for N-[5-ethyl-3-(4-methoxybenzoyl)thiophen-2-yl]-2-phenoxyacetamide?
The canonical SMILES for N-[5-ethyl-3-(4-methoxybenzoyl)thiophen-2-yl]-2-phenoxyacetamide is CCc1cc(C(=O)c2ccc(OC)cc2)c(NC(=O)COc2ccccc2)s1.
What is the InChIKey of N-[5-ethyl-3-(4-methoxybenzoyl)thiophen-2-yl]-2-phenoxyacetamide?
The InChIKey is ANYCJLAXNMYTHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO4S/c1-3-18-13-19(21(25)15-9-11-16(26-2)12-10-15)22(28-18)23-20(24)14-27-17-7-5-4-6-8-17/h4-13H,3,14H2,1-2H3,(H,23,24).
What are the key properties of N-[5-ethyl-3-(4-methoxybenzoyl)thiophen-2-yl]-2-phenoxyacetamide?
N-[5-ethyl-3-(4-methoxybenzoyl)thiophen-2-yl]-2-phenoxyacetamide has a molecular weight of 395.48 g/mol, XLogP of 4.57, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-ethyl-3-(4-methoxybenzoyl)thiophen-2-yl]-2-phenoxyacetamide is sourced from PubChem (CID 2814367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).