4-[cyclobutyl(2-pyridin-2-ylethyl)carbamoyl]-5-methylthiophene-2-carboxylic acid

C18H20N2O3S — CID 154870204

IUPAC4-[cyclobutyl(2-pyridin-2-ylethyl)carbamoyl]-5-methylthiophene-2-carboxylic acid
SMILESCc1sc(C(=O)O)cc1C(=O)N(CCc1ccccn1)C1CCC1
InChIInChI=1S/C18H20N2O3S/c1-12-15(11-16(24-12)18(22)23)17(21)20(14-6-4-7-14)10-8-13-5-2-3-9-19-13/h2-3,5,9,11,14H,4,6-8,10H2,1H3,(H,22,23)
InChIKeyLNZLJARAACLSSY-UHFFFAOYSA-N
MW344.44 g/mol
LogP3.39
Rot. Bonds6

About 4-[cyclobutyl(2-pyridin-2-ylethyl)carbamoyl]-5-methylthiophene-2-carboxylic acid

4-[cyclobutyl(2-pyridin-2-ylethyl)carbamoyl]-5-methylthiophene-2-carboxylic acid (PubChem CID 154870204) has the molecular formula C18H20N2O3S and a molecular weight of 344.44 g/mol. Its IUPAC name is 4-[cyclobutyl(2-pyridin-2-ylethyl)carbamoyl]-5-methylthiophene-2-carboxylic acid.

Molecular Properties

Compound Name4-[cyclobutyl(2-pyridin-2-ylethyl)carbamoyl]-5-methylthiophene-2-carboxylic acid
PubChem CID154870204
Molecular FormulaC18H20N2O3S
Molecular Weight344.44 g/mol
Exact Mass344.12
IUPAC Name4-[cyclobutyl(2-pyridin-2-ylethyl)carbamoyl]-5-methylthiophene-2-carboxylic acid
SMILESCc1sc(C(=O)O)cc1C(=O)N(CCc1ccccn1)C1CCC1
InChIInChI=1S/C18H20N2O3S/c1-12-15(11-16(24-12)18(22)23)17(21)20(14-6-4-7-14)10-8-13-5-2-3-9-19-13/h2-3,5,9,11,14H,4,6-8,10H2,1H3,(H,22,23)
InChIKeyLNZLJARAACLSSY-UHFFFAOYSA-N
XLogP3.39
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-ethylpiperidin-4-yl)-4-methyl-N-(2-pyridin-2-ylethyl)-1,2,5-thiadiazole-3-carboxamide
CID 138810100
2-[cyclopentyl(2-pyridin-2-ylethyl)amino]acetic acid
CID 60892049
N-(1-ethylpiperidin-4-yl)-3-methyl-N-(2-pyridin-2-ylethyl)imidazo[1,2-a]pyridine-2-carboxamide
CID 154571089
N-cyclopentyl-N-(2-phenylethyl)pyridine-2-carboxamide
CID 86927162
N-cyclopropyl-2,5-dimethyl-N-[3-oxo-3-(2-pyridin-2-ylethylamino)propyl]furan-3-carboxamide
CID 3695173
(2S)-N-(1-ethylpiperidin-4-yl)-N-(2-pyridin-2-ylethyl)oxane-2-carboxamide
CID 99926435
N-methyl-N-(2-pyridin-2-ylethyl)-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide;2,2,2-trifluoroacetic acid
CID 173146206
(3R)-1-(benzenesulfonyl)-N-methyl-N-(2-pyridin-2-ylethyl)piperidin-3-amine
CID 42521946
1-[methyl(2-pyridin-2-ylethyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 61195359
5-[(2S)-1-(2-methoxyacetyl)pyrrolidin-2-yl]-N-methyl-N-(2-pyridin-2-ylethyl)thiophene-2-carboxamide
CID 30921699
[3-[methyl(2-pyridin-2-ylethyl)amino]piperidin-1-yl]-(4-methyl-1H-pyrrol-2-yl)methanone
CID 56912433
2-[methyl(2-pyridin-2-ylethyl)amino]cyclopropane-1-carboxylic acid
CID 117042811

Frequently Asked Questions

What is the IUPAC name of 4-[cyclobutyl(2-pyridin-2-ylethyl)carbamoyl]-5-methylthiophene-2-carboxylic acid?
The IUPAC name of 4-[cyclobutyl(2-pyridin-2-ylethyl)carbamoyl]-5-methylthiophene-2-carboxylic acid (CID 154870204) is 4-[cyclobutyl(2-pyridin-2-ylethyl)carbamoyl]-5-methylthiophene-2-carboxylic acid.
What is the SMILES notation for 4-[cyclobutyl(2-pyridin-2-ylethyl)carbamoyl]-5-methylthiophene-2-carboxylic acid?
The canonical SMILES for 4-[cyclobutyl(2-pyridin-2-ylethyl)carbamoyl]-5-methylthiophene-2-carboxylic acid is Cc1sc(C(=O)O)cc1C(=O)N(CCc1ccccn1)C1CCC1.
What is the InChIKey of 4-[cyclobutyl(2-pyridin-2-ylethyl)carbamoyl]-5-methylthiophene-2-carboxylic acid?
The InChIKey is LNZLJARAACLSSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3S/c1-12-15(11-16(24-12)18(22)23)17(21)20(14-6-4-7-14)10-8-13-5-2-3-9-19-13/h2-3,5,9,11,14H,4,6-8,10H2,1H3,(H,22,23).
What are the key properties of 4-[cyclobutyl(2-pyridin-2-ylethyl)carbamoyl]-5-methylthiophene-2-carboxylic acid?
4-[cyclobutyl(2-pyridin-2-ylethyl)carbamoyl]-5-methylthiophene-2-carboxylic acid has a molecular weight of 344.44 g/mol, XLogP of 3.39, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclobutyl(2-pyridin-2-ylethyl)carbamoyl]-5-methylthiophene-2-carboxylic acid is sourced from PubChem (CID 154870204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).