[2-[[(R)-(4-methoxyphenyl)-phenylmethyl]amino]-2-oxoethyl] 5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxylate

C24H23NO4S — CID 8522593

IUPAC[2-[[(R)-(4-methoxyphenyl)-phenylmethyl]amino]-2-oxoethyl] 5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxylate
SMILESCOc1ccc([C@H](NC(=O)COC(=O)c2cc3c(s2)CCC3)c2ccccc2)cc1
InChIInChI=1S/C24H23NO4S/c1-28-19-12-10-17(11-13-19)23(16-6-3-2-4-7-16)25-22(26)15-29-24(27)21-14-18-8-5-9-20(18)30-21/h2-4,6-7,10-14,23H,5,8-9,15H2,1H3,(H,25,26)/t23-/m1/s1
InChIKeyGRFJQBFYRZVHEP-HSZRJFAPSA-N
MW421.52 g/mol
LogP4.31
Rot. Bonds7

About [2-[[(R)-(4-methoxyphenyl)-phenylmethyl]amino]-2-oxoethyl] 5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxylate

[2-[[(R)-(4-methoxyphenyl)-phenylmethyl]amino]-2-oxoethyl] 5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxylate (PubChem CID 8522593) has the molecular formula C24H23NO4S and a molecular weight of 421.52 g/mol. Its IUPAC name is [2-[[(R)-(4-methoxyphenyl)-phenylmethyl]amino]-2-oxoethyl] 5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxylate.

Molecular Properties

Compound Name[2-[[(R)-(4-methoxyphenyl)-phenylmethyl]amino]-2-oxoethyl] 5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxylate
PubChem CID8522593
Molecular FormulaC24H23NO4S
Molecular Weight421.52 g/mol
Exact Mass421.13
IUPAC Name[2-[[(R)-(4-methoxyphenyl)-phenylmethyl]amino]-2-oxoethyl] 5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxylate
SMILESCOc1ccc([C@H](NC(=O)COC(=O)c2cc3c(s2)CCC3)c2ccccc2)cc1
InChIInChI=1S/C24H23NO4S/c1-28-19-12-10-17(11-13-19)23(16-6-3-2-4-7-16)25-22(26)15-29-24(27)21-14-18-8-5-9-20(18)30-21/h2-4,6-7,10-14,23H,5,8-9,15H2,1H3,(H,25,26)/t23-/m1/s1
InChIKeyGRFJQBFYRZVHEP-HSZRJFAPSA-N
XLogP4.31
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.52
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-[[(R)-(4-methoxyphenyl)-phenylmethyl]amino]-2-oxoethyl] 5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxylate with MolForge

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Related Compounds

[2-oxo-2-(1-phenylethylamino)ethyl] 5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxylate
CID 16505649
[2-oxo-2-[[(1S)-1-phenylbutyl]amino]ethyl] 5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxylate
CID 7594763
[2-oxo-2-(propan-2-ylamino)ethyl] 5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxylate
CID 7291855
[2-oxo-2-[[(2S)-3-oxo-1-phenylbutan-2-yl]amino]ethyl] 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate
CID 7623477
[2-oxo-2-[[(2S)-4-phenylbutan-2-yl]amino]ethyl] 5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxylate
CID 7352101
[2-oxo-2-[[(2R)-4-phenylbutan-2-yl]amino]ethyl] 5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxylate
CID 7352102
[2-oxo-2-(4-phenoxyanilino)ethyl] 5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxylate
CID 7238979
[2-[1-(4-fluorophenyl)ethylamino]-2-oxoethyl] 5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxylate
CID 16509446
[2-[[(1R)-1-(4-methylphenyl)propyl]amino]-2-oxoethyl] 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate
CID 7238389
[2-[[(R)-(4-methoxyphenyl)-phenylmethyl]amino]-2-oxoethyl] 1H-pyrrole-2-carboxylate
CID 8550275
[2-(benzylamino)-2-oxoethyl] 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate
CID 2615873
[2-(methylcarbamoylamino)-2-oxoethyl] 5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxylate
CID 3289333

Frequently Asked Questions

What is the IUPAC name of [2-[[(R)-(4-methoxyphenyl)-phenylmethyl]amino]-2-oxoethyl] 5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxylate?
The IUPAC name of [2-[[(R)-(4-methoxyphenyl)-phenylmethyl]amino]-2-oxoethyl] 5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxylate (CID 8522593) is [2-[[(R)-(4-methoxyphenyl)-phenylmethyl]amino]-2-oxoethyl] 5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxylate.
What is the SMILES notation for [2-[[(R)-(4-methoxyphenyl)-phenylmethyl]amino]-2-oxoethyl] 5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxylate?
The canonical SMILES for [2-[[(R)-(4-methoxyphenyl)-phenylmethyl]amino]-2-oxoethyl] 5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxylate is COc1ccc([C@H](NC(=O)COC(=O)c2cc3c(s2)CCC3)c2ccccc2)cc1.
What is the InChIKey of [2-[[(R)-(4-methoxyphenyl)-phenylmethyl]amino]-2-oxoethyl] 5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxylate?
The InChIKey is GRFJQBFYRZVHEP-HSZRJFAPSA-N. The full InChI is InChI=1S/C24H23NO4S/c1-28-19-12-10-17(11-13-19)23(16-6-3-2-4-7-16)25-22(26)15-29-24(27)21-14-18-8-5-9-20(18)30-21/h2-4,6-7,10-14,23H,5,8-9,15H2,1H3,(H,25,26)/t23-/m1/s1.
What are the key properties of [2-[[(R)-(4-methoxyphenyl)-phenylmethyl]amino]-2-oxoethyl] 5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxylate?
[2-[[(R)-(4-methoxyphenyl)-phenylmethyl]amino]-2-oxoethyl] 5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxylate has a molecular weight of 421.52 g/mol, XLogP of 4.31, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[(R)-(4-methoxyphenyl)-phenylmethyl]amino]-2-oxoethyl] 5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxylate is sourced from PubChem (CID 8522593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).