[(2S)-1-oxo-1-(2-propan-2-ylanilino)propan-2-yl] 2,5-dimethylthiophene-3-carboxylate

C19H23NO3S — CID 9383000

IUPAC[(2S)-1-oxo-1-(2-propan-2-ylanilino)propan-2-yl] 2,5-dimethylthiophene-3-carboxylate
SMILESCc1cc(C(=O)O[C@@H](C)C(=O)Nc2ccccc2C(C)C)c(C)s1
InChIInChI=1S/C19H23NO3S/c1-11(2)15-8-6-7-9-17(15)20-18(21)13(4)23-19(22)16-10-12(3)24-14(16)5/h6-11,13H,1-5H3,(H,20,21)/t13-/m0/s1
InChIKeyQBZPGLNMULKACR-ZDUSSCGKSA-N
MW345.46 g/mol
LogP4.67
Rot. Bonds5

About [(2S)-1-oxo-1-(2-propan-2-ylanilino)propan-2-yl] 2,5-dimethylthiophene-3-carboxylate

[(2S)-1-oxo-1-(2-propan-2-ylanilino)propan-2-yl] 2,5-dimethylthiophene-3-carboxylate (PubChem CID 9383000) has the molecular formula C19H23NO3S and a molecular weight of 345.46 g/mol. Its IUPAC name is [(2S)-1-oxo-1-(2-propan-2-ylanilino)propan-2-yl] 2,5-dimethylthiophene-3-carboxylate.

Molecular Properties

Compound Name[(2S)-1-oxo-1-(2-propan-2-ylanilino)propan-2-yl] 2,5-dimethylthiophene-3-carboxylate
PubChem CID9383000
Molecular FormulaC19H23NO3S
Molecular Weight345.46 g/mol
Exact Mass345.14
IUPAC Name[(2S)-1-oxo-1-(2-propan-2-ylanilino)propan-2-yl] 2,5-dimethylthiophene-3-carboxylate
SMILESCc1cc(C(=O)O[C@@H](C)C(=O)Nc2ccccc2C(C)C)c(C)s1
InChIInChI=1S/C19H23NO3S/c1-11(2)15-8-6-7-9-17(15)20-18(21)13(4)23-19(22)16-10-12(3)24-14(16)5/h6-11,13H,1-5H3,(H,20,21)/t13-/m0/s1
InChIKeyQBZPGLNMULKACR-ZDUSSCGKSA-N
XLogP4.67
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.46
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(2S)-1-oxo-1-(2-propan-2-ylanilino)propan-2-yl] 2,5-dimethylthiophene-3-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

[(2S)-1-oxo-1-(2-propan-2-ylanilino)propan-2-yl] 2-hydroxy-5-methylbenzoate
CID 8958740
[(2R)-1-oxo-1-(2-propan-2-ylanilino)propan-2-yl] 2-methoxy-5-methylbenzoate
CID 9000107
[(2S)-1-(3-methoxyanilino)-1-oxopropan-2-yl] 2,5-dimethylthiophene-3-carboxylate
CID 8878303
[(2S)-1-oxo-1-(2-propan-2-ylanilino)propan-2-yl] 1-cyclopropyl-2,5-dimethylpyrrole-3-carboxylate
CID 9062697
2-methoxy-N-(2-propan-2-ylphenyl)propanamide
CID 86811936
[(2R)-1-[4-(difluoromethylsulfanyl)anilino]-1-oxopropan-2-yl] 2,5-dimethylthiophene-3-carboxylate
CID 9382977
[(2R)-1-oxo-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]propan-2-yl] 2,5-dimethylthiophene-3-carboxylate
CID 9383040
[(2R)-1-[2-[(2R)-butan-2-yl]anilino]-1-oxopropan-2-yl] 5-methylthiophene-2-carboxylate
CID 7837925
[(2S)-1-(2,3-dihydro-1H-inden-5-ylamino)-1-oxopropan-2-yl] 2,5-dimethylthiophene-3-carboxylate
CID 9383060
[(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl] 4-(2,5-dimethylthiophen-3-yl)-4-oxobutanoate
CID 7399903
[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 2,5-dimethylthiophene-3-carboxylate
CID 8878392
[(2R)-1-oxo-1-(2-propan-2-ylanilino)propan-2-yl] 4-acetyl-1H-pyrrole-2-carboxylate
CID 9386378

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-oxo-1-(2-propan-2-ylanilino)propan-2-yl] 2,5-dimethylthiophene-3-carboxylate?
The IUPAC name of [(2S)-1-oxo-1-(2-propan-2-ylanilino)propan-2-yl] 2,5-dimethylthiophene-3-carboxylate (CID 9383000) is [(2S)-1-oxo-1-(2-propan-2-ylanilino)propan-2-yl] 2,5-dimethylthiophene-3-carboxylate.
What is the SMILES notation for [(2S)-1-oxo-1-(2-propan-2-ylanilino)propan-2-yl] 2,5-dimethylthiophene-3-carboxylate?
The canonical SMILES for [(2S)-1-oxo-1-(2-propan-2-ylanilino)propan-2-yl] 2,5-dimethylthiophene-3-carboxylate is Cc1cc(C(=O)O[C@@H](C)C(=O)Nc2ccccc2C(C)C)c(C)s1.
What is the InChIKey of [(2S)-1-oxo-1-(2-propan-2-ylanilino)propan-2-yl] 2,5-dimethylthiophene-3-carboxylate?
The InChIKey is QBZPGLNMULKACR-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H23NO3S/c1-11(2)15-8-6-7-9-17(15)20-18(21)13(4)23-19(22)16-10-12(3)24-14(16)5/h6-11,13H,1-5H3,(H,20,21)/t13-/m0/s1.
What are the key properties of [(2S)-1-oxo-1-(2-propan-2-ylanilino)propan-2-yl] 2,5-dimethylthiophene-3-carboxylate?
[(2S)-1-oxo-1-(2-propan-2-ylanilino)propan-2-yl] 2,5-dimethylthiophene-3-carboxylate has a molecular weight of 345.46 g/mol, XLogP of 4.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-oxo-1-(2-propan-2-ylanilino)propan-2-yl] 2,5-dimethylthiophene-3-carboxylate is sourced from PubChem (CID 9383000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).