ethyl 2-[(2-methoxybenzoyl)amino]-5-(1-phenylethyl)thiophene-3-carboxylate

C23H23NO4S — CID 46094953

IUPACethyl 2-[(2-methoxybenzoyl)amino]-5-(1-phenylethyl)thiophene-3-carboxylate
SMILESCCOC(=O)c1cc(C(C)c2ccccc2)sc1NC(=O)c1ccccc1OC
InChIInChI=1S/C23H23NO4S/c1-4-28-23(26)18-14-20(15(2)16-10-6-5-7-11-16)29-22(18)24-21(25)17-12-8-9-13-19(17)27-3/h5-15H,4H2,1-3H3,(H,24,25)
InChIKeyGZLSIBDWTAMABE-UHFFFAOYSA-N
MW409.51 g/mol
LogP5.34
Rot. Bonds7

About ethyl 2-[(2-methoxybenzoyl)amino]-5-(1-phenylethyl)thiophene-3-carboxylate

ethyl 2-[(2-methoxybenzoyl)amino]-5-(1-phenylethyl)thiophene-3-carboxylate (PubChem CID 46094953) has the molecular formula C23H23NO4S and a molecular weight of 409.51 g/mol. Its IUPAC name is ethyl 2-[(2-methoxybenzoyl)amino]-5-(1-phenylethyl)thiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-[(2-methoxybenzoyl)amino]-5-(1-phenylethyl)thiophene-3-carboxylate
PubChem CID46094953
Molecular FormulaC23H23NO4S
Molecular Weight409.51 g/mol
Exact Mass409.13
IUPAC Nameethyl 2-[(2-methoxybenzoyl)amino]-5-(1-phenylethyl)thiophene-3-carboxylate
SMILESCCOC(=O)c1cc(C(C)c2ccccc2)sc1NC(=O)c1ccccc1OC
InChIInChI=1S/C23H23NO4S/c1-4-28-23(26)18-14-20(15(2)16-10-6-5-7-11-16)29-22(18)24-21(25)17-12-8-9-13-19(17)27-3/h5-15H,4H2,1-3H3,(H,24,25)
InChIKeyGZLSIBDWTAMABE-UHFFFAOYSA-N
XLogP5.34
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.51
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[(2-ethoxybenzoyl)amino]-5-[(1R)-1-phenylethyl]thiophene-3-carboxylate
CID 92771089
ethyl 2-[(2-fluorobenzoyl)amino]-5-(1-phenylethyl)thiophene-3-carboxylate
CID 46086650
ethyl 2-(2,2-dimethylpropanoylamino)-5-[(1S)-1-phenylethyl]thiophene-3-carboxylate
CID 92760384
ethyl 2-(butanoylamino)-5-[(1R)-1-phenylethyl]thiophene-3-carboxylate
CID 92759883
ethyl 2-(butanoylamino)-5-(1-phenylethyl)thiophene-3-carboxylate
CID 46086648
ethyl 2-(2-ethylbutanoylamino)-5-[(1R)-1-phenylethyl]thiophene-3-carboxylate
CID 92760721
ethyl 2-[(5-methylthiophene-3-carbonyl)amino]-5-[(1S)-1-phenylethyl]thiophene-3-carboxylate
CID 7027911
ethyl 2-[[(2S)-2-phenylbutanoyl]amino]-5-[(1S)-1-phenylethyl]thiophene-3-carboxylate
CID 92770061
ethyl 2-[[(2R)-2-phenylbutanoyl]amino]-5-[(1R)-1-phenylethyl]thiophene-3-carboxylate
CID 92770064
ethyl 2-[[(2S)-2-methylpentanoyl]amino]-5-[(1S)-1-phenylethyl]thiophene-3-carboxylate
CID 92760651
ethyl 5-[(1S)-1-phenylethyl]-2-[(2-phenylmethoxyacetyl)amino]thiophene-3-carboxylate
CID 92769085
ethyl 2-[(2-methoxybenzoyl)amino]thiophene-3-carboxylate
CID 7164081

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2-methoxybenzoyl)amino]-5-(1-phenylethyl)thiophene-3-carboxylate?
The IUPAC name of ethyl 2-[(2-methoxybenzoyl)amino]-5-(1-phenylethyl)thiophene-3-carboxylate (CID 46094953) is ethyl 2-[(2-methoxybenzoyl)amino]-5-(1-phenylethyl)thiophene-3-carboxylate.
What is the SMILES notation for ethyl 2-[(2-methoxybenzoyl)amino]-5-(1-phenylethyl)thiophene-3-carboxylate?
The canonical SMILES for ethyl 2-[(2-methoxybenzoyl)amino]-5-(1-phenylethyl)thiophene-3-carboxylate is CCOC(=O)c1cc(C(C)c2ccccc2)sc1NC(=O)c1ccccc1OC.
What is the InChIKey of ethyl 2-[(2-methoxybenzoyl)amino]-5-(1-phenylethyl)thiophene-3-carboxylate?
The InChIKey is GZLSIBDWTAMABE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO4S/c1-4-28-23(26)18-14-20(15(2)16-10-6-5-7-11-16)29-22(18)24-21(25)17-12-8-9-13-19(17)27-3/h5-15H,4H2,1-3H3,(H,24,25).
What are the key properties of ethyl 2-[(2-methoxybenzoyl)amino]-5-(1-phenylethyl)thiophene-3-carboxylate?
ethyl 2-[(2-methoxybenzoyl)amino]-5-(1-phenylethyl)thiophene-3-carboxylate has a molecular weight of 409.51 g/mol, XLogP of 5.34, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2-methoxybenzoyl)amino]-5-(1-phenylethyl)thiophene-3-carboxylate is sourced from PubChem (CID 46094953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).