[2-oxo-2-(propan-2-ylamino)ethyl] 2-(2,5-dimethylpyrrol-1-yl)-4,5-dimethylthiophene-3-carboxylate

C18H24N2O3S — CID 8728389

IUPAC[2-oxo-2-(propan-2-ylamino)ethyl] 2-(2,5-dimethylpyrrol-1-yl)-4,5-dimethylthiophene-3-carboxylate
SMILESCc1sc(-n2c(C)ccc2C)c(C(=O)OCC(=O)NC(C)C)c1C
InChIInChI=1S/C18H24N2O3S/c1-10(2)19-15(21)9-23-18(22)16-13(5)14(6)24-17(16)20-11(3)7-8-12(20)4/h7-8,10H,9H2,1-6H3,(H,19,21)
InChIKeyNTNAAAXINSFHQD-UHFFFAOYSA-N
MW348.47 g/mol
LogP3.45
Rot. Bonds5

About [2-oxo-2-(propan-2-ylamino)ethyl] 2-(2,5-dimethylpyrrol-1-yl)-4,5-dimethylthiophene-3-carboxylate

[2-oxo-2-(propan-2-ylamino)ethyl] 2-(2,5-dimethylpyrrol-1-yl)-4,5-dimethylthiophene-3-carboxylate (PubChem CID 8728389) has the molecular formula C18H24N2O3S and a molecular weight of 348.47 g/mol. Its IUPAC name is [2-oxo-2-(propan-2-ylamino)ethyl] 2-(2,5-dimethylpyrrol-1-yl)-4,5-dimethylthiophene-3-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-(propan-2-ylamino)ethyl] 2-(2,5-dimethylpyrrol-1-yl)-4,5-dimethylthiophene-3-carboxylate
PubChem CID8728389
Molecular FormulaC18H24N2O3S
Molecular Weight348.47 g/mol
Exact Mass348.15
IUPAC Name[2-oxo-2-(propan-2-ylamino)ethyl] 2-(2,5-dimethylpyrrol-1-yl)-4,5-dimethylthiophene-3-carboxylate
SMILESCc1sc(-n2c(C)ccc2C)c(C(=O)OCC(=O)NC(C)C)c1C
InChIInChI=1S/C18H24N2O3S/c1-10(2)19-15(21)9-23-18(22)16-13(5)14(6)24-17(16)20-11(3)7-8-12(20)4/h7-8,10H,9H2,1-6H3,(H,19,21)
InChIKeyNTNAAAXINSFHQD-UHFFFAOYSA-N
XLogP3.45
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-oxo-2-(propan-2-ylamino)ethyl] 2-(2,5-dimethylpyrrol-1-yl)-4,5-dimethylthiophene-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2-(2,5-dimethylpyrrol-1-yl)-4,5-dimethylthiophene-3-carboxylate
CID 8728429
(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-(2,5-dimethylpyrrol-1-yl)-4,5-dimethylthiophene-3-carboxylate
CID 8728445
[2-oxo-2-(propan-2-ylamino)ethyl] 3-amino-4-methylbenzoate
CID 60665621
[2-oxo-2-(1-phenylethylamino)ethyl] 2-acetamido-4,5-dimethylthiophene-3-carboxylate
CID 6914931
[2-[[(1S)-1-(3,4-dimethylphenyl)ethyl]amino]-2-oxoethyl] 2-acetamido-4,5-dimethylthiophene-3-carboxylate
CID 7278585
[2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl] 4-(2,5-dimethylpyrrol-1-yl)benzoate
CID 2662988
[2-oxo-2-(4-phenylbutan-2-ylamino)ethyl] 2-acetamido-4,5-dimethylthiophene-3-carboxylate
CID 15978073
[2-oxo-2-[[(2S)-4-phenylbutan-2-yl]amino]ethyl] 2-acetamido-4,5-dimethylthiophene-3-carboxylate
CID 2483544
[2-[[(1R)-3-methyl-1-phenylbutyl]amino]-2-oxoethyl] 2-acetamido-4,5-dimethylthiophene-3-carboxylate
CID 8521787
[2-oxo-2-(propan-2-ylamino)ethyl] 1-benzyl-5-chloro-3-methylpyrazole-4-carboxylate
CID 7914061
[2-oxo-2-(propan-2-ylamino)ethyl] 5-chloro-3-methyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxylate
CID 7355653
[2-oxo-2-(propan-2-ylamino)ethyl] 2-bromobenzoate
CID 2416256

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(propan-2-ylamino)ethyl] 2-(2,5-dimethylpyrrol-1-yl)-4,5-dimethylthiophene-3-carboxylate?
The IUPAC name of [2-oxo-2-(propan-2-ylamino)ethyl] 2-(2,5-dimethylpyrrol-1-yl)-4,5-dimethylthiophene-3-carboxylate (CID 8728389) is [2-oxo-2-(propan-2-ylamino)ethyl] 2-(2,5-dimethylpyrrol-1-yl)-4,5-dimethylthiophene-3-carboxylate.
What is the SMILES notation for [2-oxo-2-(propan-2-ylamino)ethyl] 2-(2,5-dimethylpyrrol-1-yl)-4,5-dimethylthiophene-3-carboxylate?
The canonical SMILES for [2-oxo-2-(propan-2-ylamino)ethyl] 2-(2,5-dimethylpyrrol-1-yl)-4,5-dimethylthiophene-3-carboxylate is Cc1sc(-n2c(C)ccc2C)c(C(=O)OCC(=O)NC(C)C)c1C.
What is the InChIKey of [2-oxo-2-(propan-2-ylamino)ethyl] 2-(2,5-dimethylpyrrol-1-yl)-4,5-dimethylthiophene-3-carboxylate?
The InChIKey is NTNAAAXINSFHQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3S/c1-10(2)19-15(21)9-23-18(22)16-13(5)14(6)24-17(16)20-11(3)7-8-12(20)4/h7-8,10H,9H2,1-6H3,(H,19,21).
What are the key properties of [2-oxo-2-(propan-2-ylamino)ethyl] 2-(2,5-dimethylpyrrol-1-yl)-4,5-dimethylthiophene-3-carboxylate?
[2-oxo-2-(propan-2-ylamino)ethyl] 2-(2,5-dimethylpyrrol-1-yl)-4,5-dimethylthiophene-3-carboxylate has a molecular weight of 348.47 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(propan-2-ylamino)ethyl] 2-(2,5-dimethylpyrrol-1-yl)-4,5-dimethylthiophene-3-carboxylate is sourced from PubChem (CID 8728389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).