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

C23H29NO3S — CID 92761246

IUPACethyl 2-(3-cyclopentylpropanoylamino)-5-[(1R)-1-phenylethyl]thiophene-3-carboxylate
SMILESCCOC(=O)c1cc([C@H](C)c2ccccc2)sc1NC(=O)CCC1CCCC1
InChIInChI=1S/C23H29NO3S/c1-3-27-23(26)19-15-20(16(2)18-11-5-4-6-12-18)28-22(19)24-21(25)14-13-17-9-7-8-10-17/h4-6,11-12,15-17H,3,7-10,13-14H2,1-2H3,(H,24,25)/t16-/m1/s1
InChIKeyQIDLTQLDMMOPSX-MRXNPFEDSA-N
MW399.56 g/mol
LogP5.99
Rot. Bonds8

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

ethyl 2-(3-cyclopentylpropanoylamino)-5-[(1R)-1-phenylethyl]thiophene-3-carboxylate (PubChem CID 92761246) has the molecular formula C23H29NO3S and a molecular weight of 399.56 g/mol. Its IUPAC name is ethyl 2-(3-cyclopentylpropanoylamino)-5-[(1R)-1-phenylethyl]thiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-(3-cyclopentylpropanoylamino)-5-[(1R)-1-phenylethyl]thiophene-3-carboxylate
PubChem CID92761246
Molecular FormulaC23H29NO3S
Molecular Weight399.56 g/mol
Exact Mass399.19
IUPAC Nameethyl 2-(3-cyclopentylpropanoylamino)-5-[(1R)-1-phenylethyl]thiophene-3-carboxylate
SMILESCCOC(=O)c1cc([C@H](C)c2ccccc2)sc1NC(=O)CCC1CCCC1
InChIInChI=1S/C23H29NO3S/c1-3-27-23(26)19-15-20(16(2)18-11-5-4-6-12-18)28-22(19)24-21(25)14-13-17-9-7-8-10-17/h4-6,11-12,15-17H,3,7-10,13-14H2,1-2H3,(H,24,25)/t16-/m1/s1
InChIKeyQIDLTQLDMMOPSX-MRXNPFEDSA-N
XLogP5.99
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.56
LogP ≤ 55.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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-(2,2-dimethylpropanoylamino)-5-[(1S)-1-phenylethyl]thiophene-3-carboxylate
CID 92760384
ethyl 2-(2-ethylbutanoylamino)-5-[(1R)-1-phenylethyl]thiophene-3-carboxylate
CID 92760721
ethyl 5-[(1S)-1-phenylethyl]-2-[(2-phenylmethoxyacetyl)amino]thiophene-3-carboxylate
CID 92769085
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 2-[(2-fluorobenzoyl)amino]-5-(1-phenylethyl)thiophene-3-carboxylate
CID 46086650
ethyl 2-[(5-methylthiophene-3-carbonyl)amino]-5-[(1S)-1-phenylethyl]thiophene-3-carboxylate
CID 7027911
ethyl 2-[(2-ethoxybenzoyl)amino]-5-[(1R)-1-phenylethyl]thiophene-3-carboxylate
CID 92771089
ethyl 2-[(2-methoxybenzoyl)amino]-5-(1-phenylethyl)thiophene-3-carboxylate
CID 46094953

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-cyclopentylpropanoylamino)-5-[(1R)-1-phenylethyl]thiophene-3-carboxylate?
The IUPAC name of ethyl 2-(3-cyclopentylpropanoylamino)-5-[(1R)-1-phenylethyl]thiophene-3-carboxylate (CID 92761246) is ethyl 2-(3-cyclopentylpropanoylamino)-5-[(1R)-1-phenylethyl]thiophene-3-carboxylate.
What is the SMILES notation for ethyl 2-(3-cyclopentylpropanoylamino)-5-[(1R)-1-phenylethyl]thiophene-3-carboxylate?
The canonical SMILES for ethyl 2-(3-cyclopentylpropanoylamino)-5-[(1R)-1-phenylethyl]thiophene-3-carboxylate is CCOC(=O)c1cc([C@H](C)c2ccccc2)sc1NC(=O)CCC1CCCC1.
What is the InChIKey of ethyl 2-(3-cyclopentylpropanoylamino)-5-[(1R)-1-phenylethyl]thiophene-3-carboxylate?
The InChIKey is QIDLTQLDMMOPSX-MRXNPFEDSA-N. The full InChI is InChI=1S/C23H29NO3S/c1-3-27-23(26)19-15-20(16(2)18-11-5-4-6-12-18)28-22(19)24-21(25)14-13-17-9-7-8-10-17/h4-6,11-12,15-17H,3,7-10,13-14H2,1-2H3,(H,24,25)/t16-/m1/s1.
What are the key properties of ethyl 2-(3-cyclopentylpropanoylamino)-5-[(1R)-1-phenylethyl]thiophene-3-carboxylate?
ethyl 2-(3-cyclopentylpropanoylamino)-5-[(1R)-1-phenylethyl]thiophene-3-carboxylate has a molecular weight of 399.56 g/mol, XLogP of 5.99, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-cyclopentylpropanoylamino)-5-[(1R)-1-phenylethyl]thiophene-3-carboxylate is sourced from PubChem (CID 92761246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).