methyl 2-[cyclopentyl-(4-ethyl-5-methylthiophene-2-carbonyl)amino]acetate

C16H23NO3S — CID 80718062

IUPACmethyl 2-[cyclopentyl-(4-ethyl-5-methylthiophene-2-carbonyl)amino]acetate
SMILESCCc1cc(C(=O)N(CC(=O)OC)C2CCCC2)sc1C
InChIInChI=1S/C16H23NO3S/c1-4-12-9-14(21-11(12)2)16(19)17(10-15(18)20-3)13-7-5-6-8-13/h9,13H,4-8,10H2,1-3H3
InChIKeyVFKLAZUTUAXASH-UHFFFAOYSA-N
MW309.43 g/mol
LogP3.18
Rot. Bonds5

About methyl 2-[cyclopentyl-(4-ethyl-5-methylthiophene-2-carbonyl)amino]acetate

methyl 2-[cyclopentyl-(4-ethyl-5-methylthiophene-2-carbonyl)amino]acetate (PubChem CID 80718062) has the molecular formula C16H23NO3S and a molecular weight of 309.43 g/mol. Its IUPAC name is methyl 2-[cyclopentyl-(4-ethyl-5-methylthiophene-2-carbonyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[cyclopentyl-(4-ethyl-5-methylthiophene-2-carbonyl)amino]acetate
PubChem CID80718062
Molecular FormulaC16H23NO3S
Molecular Weight309.43 g/mol
Exact Mass309.14
IUPAC Namemethyl 2-[cyclopentyl-(4-ethyl-5-methylthiophene-2-carbonyl)amino]acetate
SMILESCCc1cc(C(=O)N(CC(=O)OC)C2CCCC2)sc1C
InChIInChI=1S/C16H23NO3S/c1-4-12-9-14(21-11(12)2)16(19)17(10-15(18)20-3)13-7-5-6-8-13/h9,13H,4-8,10H2,1-3H3
InChIKeyVFKLAZUTUAXASH-UHFFFAOYSA-N
XLogP3.18
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.43
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[cyclopentyl-(5-ethyl-4-methylthiophene-2-carbonyl)amino]acetate
CID 80718626
methyl 2-[cyclopentyl(thieno[3,2-b]thiophene-5-carbonyl)amino]acetate
CID 80718192
methyl 2-[cyclopentyl(thiophene-2-carbonyl)amino]acetate
CID 80709531
methyl 2-[cyclopentyl-(2,5-dibromothiophene-3-carbonyl)amino]acetate
CID 103769492
N-(2-chloroethyl)-N-cyclohexyl-4,5-dimethylthiophene-2-carboxamide
CID 65238018
methyl 1-(4-ethyl-5-methylthiophene-2-carbonyl)piperidine-2-carboxylate
CID 51112610
methyl 2-[acetyl(cyclopentyl)amino]acetate
CID 80709615
ethyl 2-[cyclopropyl(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonyl)amino]acetate
CID 61410169
methyl 2-[(3-chloro-4-methylbenzoyl)-cyclopentylamino]acetate
CID 80718269
methyl 2-[(4-chloro-2-methylbenzoyl)-cyclopentylamino]acetate
CID 103782927
methyl 2-[cyclopentyl-(2-fluoro-4-hydroxybenzoyl)amino]acetate
CID 107677270
methyl 2-[cyclopentyl(pyridine-4-carbonyl)amino]acetate
CID 80709522

Frequently Asked Questions

What is the IUPAC name of methyl 2-[cyclopentyl-(4-ethyl-5-methylthiophene-2-carbonyl)amino]acetate?
The IUPAC name of methyl 2-[cyclopentyl-(4-ethyl-5-methylthiophene-2-carbonyl)amino]acetate (CID 80718062) is methyl 2-[cyclopentyl-(4-ethyl-5-methylthiophene-2-carbonyl)amino]acetate.
What is the SMILES notation for methyl 2-[cyclopentyl-(4-ethyl-5-methylthiophene-2-carbonyl)amino]acetate?
The canonical SMILES for methyl 2-[cyclopentyl-(4-ethyl-5-methylthiophene-2-carbonyl)amino]acetate is CCc1cc(C(=O)N(CC(=O)OC)C2CCCC2)sc1C.
What is the InChIKey of methyl 2-[cyclopentyl-(4-ethyl-5-methylthiophene-2-carbonyl)amino]acetate?
The InChIKey is VFKLAZUTUAXASH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3S/c1-4-12-9-14(21-11(12)2)16(19)17(10-15(18)20-3)13-7-5-6-8-13/h9,13H,4-8,10H2,1-3H3.
What are the key properties of methyl 2-[cyclopentyl-(4-ethyl-5-methylthiophene-2-carbonyl)amino]acetate?
methyl 2-[cyclopentyl-(4-ethyl-5-methylthiophene-2-carbonyl)amino]acetate has a molecular weight of 309.43 g/mol, XLogP of 3.18, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[cyclopentyl-(4-ethyl-5-methylthiophene-2-carbonyl)amino]acetate is sourced from PubChem (CID 80718062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).