[(2S)-1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl] 2-(thiophene-2-carbonylamino)acetate

C19H22N2O4S — CID 7808059

IUPAC[(2S)-1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl] 2-(thiophene-2-carbonylamino)acetate
SMILESCc1cc(C)c(NC(=O)[C@H](C)OC(=O)CNC(=O)c2cccs2)c(C)c1
InChIInChI=1S/C19H22N2O4S/c1-11-8-12(2)17(13(3)9-11)21-18(23)14(4)25-16(22)10-20-19(24)15-6-5-7-26-15/h5-9,14H,10H2,1-4H3,(H,20,24)(H,21,23)/t14-/m0/s1
InChIKeyCJCAANDJQAGNLV-AWEZNQCLSA-N
MW374.46 g/mol
LogP2.97
Rot. Bonds6

About [(2S)-1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl] 2-(thiophene-2-carbonylamino)acetate

[(2S)-1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl] 2-(thiophene-2-carbonylamino)acetate (PubChem CID 7808059) has the molecular formula C19H22N2O4S and a molecular weight of 374.46 g/mol. Its IUPAC name is [(2S)-1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl] 2-(thiophene-2-carbonylamino)acetate.

Molecular Properties

Compound Name[(2S)-1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl] 2-(thiophene-2-carbonylamino)acetate
PubChem CID7808059
Molecular FormulaC19H22N2O4S
Molecular Weight374.46 g/mol
Exact Mass374.13
IUPAC Name[(2S)-1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl] 2-(thiophene-2-carbonylamino)acetate
SMILESCc1cc(C)c(NC(=O)[C@H](C)OC(=O)CNC(=O)c2cccs2)c(C)c1
InChIInChI=1S/C19H22N2O4S/c1-11-8-12(2)17(13(3)9-11)21-18(23)14(4)25-16(22)10-20-19(24)15-6-5-7-26-15/h5-9,14H,10H2,1-4H3,(H,20,24)(H,21,23)/t14-/m0/s1
InChIKeyCJCAANDJQAGNLV-AWEZNQCLSA-N
XLogP2.97
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.46
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[(2R)-1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl] 2-(thiophene-2-carbonylamino)acetate
CID 7808058
[(2S)-1-(4-acetylanilino)-1-oxopropan-2-yl] 2-(thiophene-2-carbonylamino)acetate
CID 8662203
[(2S)-1-oxo-1-(2,3,4-trifluoroanilino)propan-2-yl] 2-(thiophene-2-carbonylamino)acetate
CID 7808033
[(2S)-1-[2-[(2S)-butan-2-yl]anilino]-1-oxopropan-2-yl] 2-(thiophene-2-carbonylamino)acetate
CID 8662339
[(2R)-1-(4-fluorophenyl)-1-oxopropan-2-yl] 2-(thiophene-2-carbonylamino)acetate
CID 8662361
[(2R)-1-[[(1R,2R)-2-methylcyclohexyl]amino]-1-oxopropan-2-yl] 2-(thiophene-2-carbonylamino)acetate
CID 8662347
[2-oxo-2-(2,4,6-trimethylanilino)ethyl] (2R)-3-methyl-2-(thiophene-2-carbonylamino)butanoate
CID 8556897
[(2S)-1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl] 2-(2-methylphenyl)sulfanylacetate
CID 7229618
[(2S)-1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl] 2-(2,4,6-trimethylphenoxy)acetate
CID 7997778
4-oxo-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-4-thiophen-2-ylbutanamide
CID 27782894
[(2S)-1-(2,6-dimethylanilino)-1-oxopropan-2-yl] 2-[(2-methoxybenzoyl)amino]acetate
CID 8736034
[(2S)-1-[benzyl(methyl)amino]-1-oxopropan-2-yl] 2-(thiophene-2-carbonylamino)acetate
CID 7807993

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl] 2-(thiophene-2-carbonylamino)acetate?
The IUPAC name of [(2S)-1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl] 2-(thiophene-2-carbonylamino)acetate (CID 7808059) is [(2S)-1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl] 2-(thiophene-2-carbonylamino)acetate.
What is the SMILES notation for [(2S)-1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl] 2-(thiophene-2-carbonylamino)acetate?
The canonical SMILES for [(2S)-1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl] 2-(thiophene-2-carbonylamino)acetate is Cc1cc(C)c(NC(=O)[C@H](C)OC(=O)CNC(=O)c2cccs2)c(C)c1.
What is the InChIKey of [(2S)-1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl] 2-(thiophene-2-carbonylamino)acetate?
The InChIKey is CJCAANDJQAGNLV-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H22N2O4S/c1-11-8-12(2)17(13(3)9-11)21-18(23)14(4)25-16(22)10-20-19(24)15-6-5-7-26-15/h5-9,14H,10H2,1-4H3,(H,20,24)(H,21,23)/t14-/m0/s1.
What are the key properties of [(2S)-1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl] 2-(thiophene-2-carbonylamino)acetate?
[(2S)-1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl] 2-(thiophene-2-carbonylamino)acetate has a molecular weight of 374.46 g/mol, XLogP of 2.97, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl] 2-(thiophene-2-carbonylamino)acetate is sourced from PubChem (CID 7808059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).