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

C24H25NO4S — CID 92771089

IUPACethyl 2-[(2-ethoxybenzoyl)amino]-5-[(1R)-1-phenylethyl]thiophene-3-carboxylate
SMILESCCOC(=O)c1cc([C@H](C)c2ccccc2)sc1NC(=O)c1ccccc1OCC
InChIInChI=1S/C24H25NO4S/c1-4-28-20-14-10-9-13-18(20)22(26)25-23-19(24(27)29-5-2)15-21(30-23)16(3)17-11-7-6-8-12-17/h6-16H,4-5H2,1-3H3,(H,25,26)/t16-/m1/s1
InChIKeyICZHYQUOMYDYRE-MRXNPFEDSA-N
MW423.53 g/mol
LogP5.73
Rot. Bonds8

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

ethyl 2-[(2-ethoxybenzoyl)amino]-5-[(1R)-1-phenylethyl]thiophene-3-carboxylate (PubChem CID 92771089) has the molecular formula C24H25NO4S and a molecular weight of 423.53 g/mol. Its IUPAC name is ethyl 2-[(2-ethoxybenzoyl)amino]-5-[(1R)-1-phenylethyl]thiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-[(2-ethoxybenzoyl)amino]-5-[(1R)-1-phenylethyl]thiophene-3-carboxylate
PubChem CID92771089
Molecular FormulaC24H25NO4S
Molecular Weight423.53 g/mol
Exact Mass423.15
IUPAC Nameethyl 2-[(2-ethoxybenzoyl)amino]-5-[(1R)-1-phenylethyl]thiophene-3-carboxylate
SMILESCCOC(=O)c1cc([C@H](C)c2ccccc2)sc1NC(=O)c1ccccc1OCC
InChIInChI=1S/C24H25NO4S/c1-4-28-20-14-10-9-13-18(20)22(26)25-23-19(24(27)29-5-2)15-21(30-23)16(3)17-11-7-6-8-12-17/h6-16H,4-5H2,1-3H3,(H,25,26)/t16-/m1/s1
InChIKeyICZHYQUOMYDYRE-MRXNPFEDSA-N
XLogP5.73
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.53
LogP ≤ 55.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[(2-methoxybenzoyl)amino]-5-(1-phenylethyl)thiophene-3-carboxylate
CID 46094953
ethyl 2-[(2-fluorobenzoyl)amino]-5-(1-phenylethyl)thiophene-3-carboxylate
CID 46086650
ethyl 2-(butanoylamino)-5-[(1R)-1-phenylethyl]thiophene-3-carboxylate
CID 92759883
ethyl 2-(2,2-dimethylpropanoylamino)-5-[(1S)-1-phenylethyl]thiophene-3-carboxylate
CID 92760384
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-[[4-[(4-bromophenoxy)methyl]benzoyl]amino]-5-(1-phenylethyl)thiophene-3-carboxylate
CID 4244576

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2-ethoxybenzoyl)amino]-5-[(1R)-1-phenylethyl]thiophene-3-carboxylate?
The IUPAC name of ethyl 2-[(2-ethoxybenzoyl)amino]-5-[(1R)-1-phenylethyl]thiophene-3-carboxylate (CID 92771089) is ethyl 2-[(2-ethoxybenzoyl)amino]-5-[(1R)-1-phenylethyl]thiophene-3-carboxylate.
What is the SMILES notation for ethyl 2-[(2-ethoxybenzoyl)amino]-5-[(1R)-1-phenylethyl]thiophene-3-carboxylate?
The canonical SMILES for ethyl 2-[(2-ethoxybenzoyl)amino]-5-[(1R)-1-phenylethyl]thiophene-3-carboxylate is CCOC(=O)c1cc([C@H](C)c2ccccc2)sc1NC(=O)c1ccccc1OCC.
What is the InChIKey of ethyl 2-[(2-ethoxybenzoyl)amino]-5-[(1R)-1-phenylethyl]thiophene-3-carboxylate?
The InChIKey is ICZHYQUOMYDYRE-MRXNPFEDSA-N. The full InChI is InChI=1S/C24H25NO4S/c1-4-28-20-14-10-9-13-18(20)22(26)25-23-19(24(27)29-5-2)15-21(30-23)16(3)17-11-7-6-8-12-17/h6-16H,4-5H2,1-3H3,(H,25,26)/t16-/m1/s1.
What are the key properties of ethyl 2-[(2-ethoxybenzoyl)amino]-5-[(1R)-1-phenylethyl]thiophene-3-carboxylate?
ethyl 2-[(2-ethoxybenzoyl)amino]-5-[(1R)-1-phenylethyl]thiophene-3-carboxylate has a molecular weight of 423.53 g/mol, XLogP of 5.73, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2-ethoxybenzoyl)amino]-5-[(1R)-1-phenylethyl]thiophene-3-carboxylate is sourced from PubChem (CID 92771089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).