[1-(cyclopentylamino)-1-oxopropan-2-yl] 5-ethyl-4-methylthiophene-2-carboxylate

C16H23NO3S — CID 18079452

IUPAC[1-(cyclopentylamino)-1-oxopropan-2-yl] 5-ethyl-4-methylthiophene-2-carboxylate
SMILESCCc1sc(C(=O)OC(C)C(=O)NC2CCCC2)cc1C
InChIInChI=1S/C16H23NO3S/c1-4-13-10(2)9-14(21-13)16(19)20-11(3)15(18)17-12-7-5-6-8-12/h9,11-12H,4-8H2,1-3H3,(H,17,18)
InChIKeyKBIRVHRCYJWFOR-UHFFFAOYSA-N
MW309.43 g/mol
LogP3.22
Rot. Bonds5

About [1-(cyclopentylamino)-1-oxopropan-2-yl] 5-ethyl-4-methylthiophene-2-carboxylate

[1-(cyclopentylamino)-1-oxopropan-2-yl] 5-ethyl-4-methylthiophene-2-carboxylate (PubChem CID 18079452) has the molecular formula C16H23NO3S and a molecular weight of 309.43 g/mol. Its IUPAC name is [1-(cyclopentylamino)-1-oxopropan-2-yl] 5-ethyl-4-methylthiophene-2-carboxylate.

Molecular Properties

Compound Name[1-(cyclopentylamino)-1-oxopropan-2-yl] 5-ethyl-4-methylthiophene-2-carboxylate
PubChem CID18079452
Molecular FormulaC16H23NO3S
Molecular Weight309.43 g/mol
Exact Mass309.14
IUPAC Name[1-(cyclopentylamino)-1-oxopropan-2-yl] 5-ethyl-4-methylthiophene-2-carboxylate
SMILESCCc1sc(C(=O)OC(C)C(=O)NC2CCCC2)cc1C
InChIInChI=1S/C16H23NO3S/c1-4-13-10(2)9-14(21-13)16(19)20-11(3)15(18)17-12-7-5-6-8-12/h9,11-12H,4-8H2,1-3H3,(H,17,18)
InChIKeyKBIRVHRCYJWFOR-UHFFFAOYSA-N
XLogP3.22
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.43
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(3,4-dihydro-2H-chromen-4-ylamino)-1-oxopropan-2-yl] 5-ethyl-4-methylthiophene-2-carboxylate
CID 55523858
[(2S)-1-(4-methylanilino)-1-oxopropan-2-yl] 5-ethyl-4-methylthiophene-2-carboxylate
CID 7972757
[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate
CID 7291779
[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl] 1-benzothiophene-2-carboxylate
CID 7887409
[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 1-benzothiophene-2-carboxylate
CID 7887410
[(2R)-1-(cyclohexylamino)-1-oxopropan-2-yl] 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate
CID 7043385
[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 2,5-dimethylthiophene-3-carboxylate
CID 8878392
[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate
CID 7291785
[(2S)-1-[[(1S)-1-(2,4-dichlorophenyl)ethyl]amino]-1-oxopropan-2-yl] 5-ethyl-4-methylthiophene-2-carboxylate
CID 7651532
[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] 5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxylate
CID 7352043
[1-(cyclopentylamino)-1-oxopropan-2-yl] 4-amino-3-methylbenzoate
CID 61322016
[(2R)-1-(cyclohexylamino)-1-oxopropan-2-yl] 2,4-dimethylbenzoate
CID 40699149

Frequently Asked Questions

What is the IUPAC name of [1-(cyclopentylamino)-1-oxopropan-2-yl] 5-ethyl-4-methylthiophene-2-carboxylate?
The IUPAC name of [1-(cyclopentylamino)-1-oxopropan-2-yl] 5-ethyl-4-methylthiophene-2-carboxylate (CID 18079452) is [1-(cyclopentylamino)-1-oxopropan-2-yl] 5-ethyl-4-methylthiophene-2-carboxylate.
What is the SMILES notation for [1-(cyclopentylamino)-1-oxopropan-2-yl] 5-ethyl-4-methylthiophene-2-carboxylate?
The canonical SMILES for [1-(cyclopentylamino)-1-oxopropan-2-yl] 5-ethyl-4-methylthiophene-2-carboxylate is CCc1sc(C(=O)OC(C)C(=O)NC2CCCC2)cc1C.
What is the InChIKey of [1-(cyclopentylamino)-1-oxopropan-2-yl] 5-ethyl-4-methylthiophene-2-carboxylate?
The InChIKey is KBIRVHRCYJWFOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3S/c1-4-13-10(2)9-14(21-13)16(19)20-11(3)15(18)17-12-7-5-6-8-12/h9,11-12H,4-8H2,1-3H3,(H,17,18).
What are the key properties of [1-(cyclopentylamino)-1-oxopropan-2-yl] 5-ethyl-4-methylthiophene-2-carboxylate?
[1-(cyclopentylamino)-1-oxopropan-2-yl] 5-ethyl-4-methylthiophene-2-carboxylate has a molecular weight of 309.43 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(cyclopentylamino)-1-oxopropan-2-yl] 5-ethyl-4-methylthiophene-2-carboxylate is sourced from PubChem (CID 18079452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).