[1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl] 4-methylthieno[3,2-b]pyrrole-5-carboxylate

C18H17FN2O3S — CID 3228511

IUPAC[1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl] 4-methylthieno[3,2-b]pyrrole-5-carboxylate
SMILESCC(OC(=O)c1cc2sccc2n1C)C(=O)NCc1ccc(F)cc1
InChIInChI=1S/C18H17FN2O3S/c1-11(17(22)20-10-12-3-5-13(19)6-4-12)24-18(23)15-9-16-14(21(15)2)7-8-25-16/h3-9,11H,10H2,1-2H3,(H,20,22)
InChIKeyCCOPZZMGPFSDOR-UHFFFAOYSA-N
MW360.41 g/mol
LogP3.24
Rot. Bonds5

About [1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl] 4-methylthieno[3,2-b]pyrrole-5-carboxylate

[1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl] 4-methylthieno[3,2-b]pyrrole-5-carboxylate (PubChem CID 3228511) has the molecular formula C18H17FN2O3S and a molecular weight of 360.41 g/mol. Its IUPAC name is [1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl] 4-methylthieno[3,2-b]pyrrole-5-carboxylate.

Molecular Properties

Compound Name[1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl] 4-methylthieno[3,2-b]pyrrole-5-carboxylate
PubChem CID3228511
Molecular FormulaC18H17FN2O3S
Molecular Weight360.41 g/mol
Exact Mass360.09
IUPAC Name[1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl] 4-methylthieno[3,2-b]pyrrole-5-carboxylate
SMILESCC(OC(=O)c1cc2sccc2n1C)C(=O)NCc1ccc(F)cc1
InChIInChI=1S/C18H17FN2O3S/c1-11(17(22)20-10-12-3-5-13(19)6-4-12)24-18(23)15-9-16-14(21(15)2)7-8-25-16/h3-9,11H,10H2,1-2H3,(H,20,22)
InChIKeyCCOPZZMGPFSDOR-UHFFFAOYSA-N
XLogP3.24
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl] 4-methylthieno[3,2-b]pyrrole-5-carboxylate with MolForge

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Related Compounds

[(2R)-1-[(4-fluorophenyl)methylamino]-3-methyl-1-oxobutan-2-yl] 4-methylthieno[3,2-b]pyrrole-5-carboxylate
CID 7435838
[(2S)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl] 4-methylthieno[3,2-b]pyrrole-5-carboxylate
CID 7435832
[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 4-methylthieno[3,2-b]pyrrole-5-carboxylate
CID 7435820
[1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl] 1-methyl-4-nitropyrrole-2-carboxylate
CID 18103085
[(2R)-1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl] 2,5-dimethylthiophene-3-carboxylate
CID 9383038
[(2S)-1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl] 2-bromo-4-fluorobenzoate
CID 8975537
[(2S)-1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl] 2-hydroxybenzoate
CID 41103279
[(2R)-1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl] 3-fluoro-4-methylbenzoate
CID 9387280
[(2S)-1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl] 2-(thiophene-2-carbonyl)benzoate
CID 8970628
[(2R)-1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl] 4-benzoylbenzoate
CID 8731678
[(2S)-1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl] 3-thiophen-3-ylpropanoate
CID 8959363
[(2S)-1-[(4-methylphenyl)methylamino]-1-oxopropan-2-yl] 5-(4-fluorophenyl)furan-2-carboxylate
CID 8995585

Frequently Asked Questions

What is the IUPAC name of [1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl] 4-methylthieno[3,2-b]pyrrole-5-carboxylate?
The IUPAC name of [1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl] 4-methylthieno[3,2-b]pyrrole-5-carboxylate (CID 3228511) is [1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl] 4-methylthieno[3,2-b]pyrrole-5-carboxylate.
What is the SMILES notation for [1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl] 4-methylthieno[3,2-b]pyrrole-5-carboxylate?
The canonical SMILES for [1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl] 4-methylthieno[3,2-b]pyrrole-5-carboxylate is CC(OC(=O)c1cc2sccc2n1C)C(=O)NCc1ccc(F)cc1.
What is the InChIKey of [1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl] 4-methylthieno[3,2-b]pyrrole-5-carboxylate?
The InChIKey is CCOPZZMGPFSDOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O3S/c1-11(17(22)20-10-12-3-5-13(19)6-4-12)24-18(23)15-9-16-14(21(15)2)7-8-25-16/h3-9,11H,10H2,1-2H3,(H,20,22).
What are the key properties of [1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl] 4-methylthieno[3,2-b]pyrrole-5-carboxylate?
[1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl] 4-methylthieno[3,2-b]pyrrole-5-carboxylate has a molecular weight of 360.41 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl] 4-methylthieno[3,2-b]pyrrole-5-carboxylate is sourced from PubChem (CID 3228511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).