2-[(5-ethyl-4-methylthiophene-2-carbonyl)amino]cyclopentane-1-carboxylic acid

C14H19NO3S — CID 64813055

IUPAC2-[(5-ethyl-4-methylthiophene-2-carbonyl)amino]cyclopentane-1-carboxylic acid
SMILESCCc1sc(C(=O)NC2CCCC2C(=O)O)cc1C
InChIInChI=1S/C14H19NO3S/c1-3-11-8(2)7-12(19-11)13(16)15-10-6-4-5-9(10)14(17)18/h7,9-10H,3-6H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyUKZTYMXXIWIQSF-UHFFFAOYSA-N
MW281.38 g/mol
LogP2.60
Rot. Bonds4

About 2-[(5-ethyl-4-methylthiophene-2-carbonyl)amino]cyclopentane-1-carboxylic acid

2-[(5-ethyl-4-methylthiophene-2-carbonyl)amino]cyclopentane-1-carboxylic acid (PubChem CID 64813055) has the molecular formula C14H19NO3S and a molecular weight of 281.38 g/mol. Its IUPAC name is 2-[(5-ethyl-4-methylthiophene-2-carbonyl)amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(5-ethyl-4-methylthiophene-2-carbonyl)amino]cyclopentane-1-carboxylic acid
PubChem CID64813055
Molecular FormulaC14H19NO3S
Molecular Weight281.38 g/mol
Exact Mass281.11
IUPAC Name2-[(5-ethyl-4-methylthiophene-2-carbonyl)amino]cyclopentane-1-carboxylic acid
SMILESCCc1sc(C(=O)NC2CCCC2C(=O)O)cc1C
InChIInChI=1S/C14H19NO3S/c1-3-11-8(2)7-12(19-11)13(16)15-10-6-4-5-9(10)14(17)18/h7,9-10H,3-6H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyUKZTYMXXIWIQSF-UHFFFAOYSA-N
XLogP2.60
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-ethyl-4-methyl-N-(3-methylpiperidin-4-yl)thiophene-2-carboxamide
CID 120553990
5-ethyl-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-4-methylthiophene-2-carboxamide
CID 80711832
2-[(4-methylthiophene-3-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 79803050
N-(2-amino-2-methylpropyl)-5-ethyl-4-methylthiophene-2-carboxamide
CID 119627644
5-bromo-N-(2,3-dimethylcyclohexyl)-4-methylthiophene-2-carboxamide
CID 79999575
cis-(1R,2S)-2-[(3-ethylthiophene-2-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 97031564
N-cycloheptyl-5-ethyl-N,4-dimethylthiophene-2-carboxamide
CID 55469565
5-ethyl-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-4-methylthiophene-2-carboxamide
CID 61367402
5-bromo-N-(2-methoxycyclopentyl)-4-methylthiophene-2-carboxamide
CID 79986516
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-5-ethyl-4-methylthiophene-2-carboxamide
CID 16613362
2-[(2,5-dichlorothiophene-3-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 103790685
ethyl 2-[(5-ethyl-4-methylthiophene-2-carbonyl)amino]acetate
CID 60728044

Frequently Asked Questions

What is the IUPAC name of 2-[(5-ethyl-4-methylthiophene-2-carbonyl)amino]cyclopentane-1-carboxylic acid?
The IUPAC name of 2-[(5-ethyl-4-methylthiophene-2-carbonyl)amino]cyclopentane-1-carboxylic acid (CID 64813055) is 2-[(5-ethyl-4-methylthiophene-2-carbonyl)amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[(5-ethyl-4-methylthiophene-2-carbonyl)amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[(5-ethyl-4-methylthiophene-2-carbonyl)amino]cyclopentane-1-carboxylic acid is CCc1sc(C(=O)NC2CCCC2C(=O)O)cc1C.
What is the InChIKey of 2-[(5-ethyl-4-methylthiophene-2-carbonyl)amino]cyclopentane-1-carboxylic acid?
The InChIKey is UKZTYMXXIWIQSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3S/c1-3-11-8(2)7-12(19-11)13(16)15-10-6-4-5-9(10)14(17)18/h7,9-10H,3-6H2,1-2H3,(H,15,16)(H,17,18).
What are the key properties of 2-[(5-ethyl-4-methylthiophene-2-carbonyl)amino]cyclopentane-1-carboxylic acid?
2-[(5-ethyl-4-methylthiophene-2-carbonyl)amino]cyclopentane-1-carboxylic acid has a molecular weight of 281.38 g/mol, XLogP of 2.60, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-ethyl-4-methylthiophene-2-carbonyl)amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 64813055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).