[2-(cyclopentylamino)-1-(4-methylphenyl)-2-oxoethyl] 4-propan-2-ylthieno[3,2-b]pyrrole-5-carboxylate

C24H28N2O3S — CID 3228571

IUPAC[2-(cyclopentylamino)-1-(4-methylphenyl)-2-oxoethyl] 4-propan-2-ylthieno[3,2-b]pyrrole-5-carboxylate
SMILESCc1ccc(C(OC(=O)c2cc3sccc3n2C(C)C)C(=O)NC2CCCC2)cc1
InChIInChI=1S/C24H28N2O3S/c1-15(2)26-19-12-13-30-21(19)14-20(26)24(28)29-22(17-10-8-16(3)9-11-17)23(27)25-18-6-4-5-7-18/h8-15,18,22H,4-7H2,1-3H3,(H,25,27)
InChIKeySSYRRCQYNLBDTG-UHFFFAOYSA-N
MW424.57 g/mol
LogP5.55
Rot. Bonds6

About [2-(cyclopentylamino)-1-(4-methylphenyl)-2-oxoethyl] 4-propan-2-ylthieno[3,2-b]pyrrole-5-carboxylate

[2-(cyclopentylamino)-1-(4-methylphenyl)-2-oxoethyl] 4-propan-2-ylthieno[3,2-b]pyrrole-5-carboxylate (PubChem CID 3228571) has the molecular formula C24H28N2O3S and a molecular weight of 424.57 g/mol. Its IUPAC name is [2-(cyclopentylamino)-1-(4-methylphenyl)-2-oxoethyl] 4-propan-2-ylthieno[3,2-b]pyrrole-5-carboxylate.

Molecular Properties

Compound Name[2-(cyclopentylamino)-1-(4-methylphenyl)-2-oxoethyl] 4-propan-2-ylthieno[3,2-b]pyrrole-5-carboxylate
PubChem CID3228571
Molecular FormulaC24H28N2O3S
Molecular Weight424.57 g/mol
Exact Mass424.18
IUPAC Name[2-(cyclopentylamino)-1-(4-methylphenyl)-2-oxoethyl] 4-propan-2-ylthieno[3,2-b]pyrrole-5-carboxylate
SMILESCc1ccc(C(OC(=O)c2cc3sccc3n2C(C)C)C(=O)NC2CCCC2)cc1
InChIInChI=1S/C24H28N2O3S/c1-15(2)26-19-12-13-30-21(19)14-20(26)24(28)29-22(17-10-8-16(3)9-11-17)23(27)25-18-6-4-5-7-18/h8-15,18,22H,4-7H2,1-3H3,(H,25,27)
InChIKeySSYRRCQYNLBDTG-UHFFFAOYSA-N
XLogP5.55
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.57
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-(cyclopentylamino)-1-(4-methylphenyl)-2-oxoethyl] 4-propan-2-ylthieno[3,2-b]pyrrole-5-carboxylate with MolForge

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Related Compounds

[(1S)-2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl] 4-methylthieno[3,2-b]pyrrole-5-carboxylate
CID 7098199
[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 4-methylthieno[3,2-b]pyrrole-5-carboxylate
CID 7435820
[(1R)-2-(cyclohexylamino)-2-oxo-1-phenylethyl] 4-methylfuro[3,2-b]pyrrole-5-carboxylate
CID 51687837
N-cyclopentyl-11-methyl-9-oxo-10-propan-2-yl-5-thia-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide
CID 53298919
N-cyclohexyl-11-methyl-9-oxo-10-propan-2-yl-5-thia-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide
CID 46271467
[1-(4-cyanophenyl)-2-(cyclohexylamino)-2-oxoethyl] acetate
CID 648812
1-cyclopentyl-3-[1-(4-methylphenyl)ethyl]urea
CID 47322191
(2S)-N-cyclopentyl-2-(4-methylphenyl)-2-piperidin-1-ylacetamide
CID 94778907
(2R)-N-cyclohexyl-2-(4-methylphenyl)-2-piperidin-1-ylacetamide
CID 94778949
[(1R)-2-(cyclopentylamino)-1-(4-fluorophenyl)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
CID 1455054
N-cyclopentyl-2-[2-[(1S)-1-hydroxyethyl]-5-methylphenoxy]propanamide
CID 63650924
1-cyclohexyl-3-[(1R)-1-(4-methylphenyl)ethyl]urea
CID 94192175

Frequently Asked Questions

What is the IUPAC name of [2-(cyclopentylamino)-1-(4-methylphenyl)-2-oxoethyl] 4-propan-2-ylthieno[3,2-b]pyrrole-5-carboxylate?
The IUPAC name of [2-(cyclopentylamino)-1-(4-methylphenyl)-2-oxoethyl] 4-propan-2-ylthieno[3,2-b]pyrrole-5-carboxylate (CID 3228571) is [2-(cyclopentylamino)-1-(4-methylphenyl)-2-oxoethyl] 4-propan-2-ylthieno[3,2-b]pyrrole-5-carboxylate.
What is the SMILES notation for [2-(cyclopentylamino)-1-(4-methylphenyl)-2-oxoethyl] 4-propan-2-ylthieno[3,2-b]pyrrole-5-carboxylate?
The canonical SMILES for [2-(cyclopentylamino)-1-(4-methylphenyl)-2-oxoethyl] 4-propan-2-ylthieno[3,2-b]pyrrole-5-carboxylate is Cc1ccc(C(OC(=O)c2cc3sccc3n2C(C)C)C(=O)NC2CCCC2)cc1.
What is the InChIKey of [2-(cyclopentylamino)-1-(4-methylphenyl)-2-oxoethyl] 4-propan-2-ylthieno[3,2-b]pyrrole-5-carboxylate?
The InChIKey is SSYRRCQYNLBDTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O3S/c1-15(2)26-19-12-13-30-21(19)14-20(26)24(28)29-22(17-10-8-16(3)9-11-17)23(27)25-18-6-4-5-7-18/h8-15,18,22H,4-7H2,1-3H3,(H,25,27).
What are the key properties of [2-(cyclopentylamino)-1-(4-methylphenyl)-2-oxoethyl] 4-propan-2-ylthieno[3,2-b]pyrrole-5-carboxylate?
[2-(cyclopentylamino)-1-(4-methylphenyl)-2-oxoethyl] 4-propan-2-ylthieno[3,2-b]pyrrole-5-carboxylate has a molecular weight of 424.57 g/mol, XLogP of 5.55, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclopentylamino)-1-(4-methylphenyl)-2-oxoethyl] 4-propan-2-ylthieno[3,2-b]pyrrole-5-carboxylate is sourced from PubChem (CID 3228571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).