[2-[[(2S)-1-methoxypropan-2-yl]amino]-2-oxoethyl] 3-(thiophene-2-carbonylamino)benzoate

C18H20N2O5S — CID 27044974

IUPAC[2-[[(2S)-1-methoxypropan-2-yl]amino]-2-oxoethyl] 3-(thiophene-2-carbonylamino)benzoate
SMILESCOC[C@H](C)NC(=O)COC(=O)c1cccc(NC(=O)c2cccs2)c1
InChIInChI=1S/C18H20N2O5S/c1-12(10-24-2)19-16(21)11-25-18(23)13-5-3-6-14(9-13)20-17(22)15-7-4-8-26-15/h3-9,12H,10-11H2,1-2H3,(H,19,21)(H,20,22)/t12-/m0/s1
InChIKeyDPBUTEASJWLSEX-LBPRGKRZSA-N
MW376.43 g/mol
LogP2.31
Rot. Bonds8

About [2-[[(2S)-1-methoxypropan-2-yl]amino]-2-oxoethyl] 3-(thiophene-2-carbonylamino)benzoate

[2-[[(2S)-1-methoxypropan-2-yl]amino]-2-oxoethyl] 3-(thiophene-2-carbonylamino)benzoate (PubChem CID 27044974) has the molecular formula C18H20N2O5S and a molecular weight of 376.43 g/mol. Its IUPAC name is [2-[[(2S)-1-methoxypropan-2-yl]amino]-2-oxoethyl] 3-(thiophene-2-carbonylamino)benzoate.

Molecular Properties

Compound Name[2-[[(2S)-1-methoxypropan-2-yl]amino]-2-oxoethyl] 3-(thiophene-2-carbonylamino)benzoate
PubChem CID27044974
Molecular FormulaC18H20N2O5S
Molecular Weight376.43 g/mol
Exact Mass376.11
IUPAC Name[2-[[(2S)-1-methoxypropan-2-yl]amino]-2-oxoethyl] 3-(thiophene-2-carbonylamino)benzoate
SMILESCOC[C@H](C)NC(=O)COC(=O)c1cccc(NC(=O)c2cccs2)c1
InChIInChI=1S/C18H20N2O5S/c1-12(10-24-2)19-16(21)11-25-18(23)13-5-3-6-14(9-13)20-17(22)15-7-4-8-26-15/h3-9,12H,10-11H2,1-2H3,(H,19,21)(H,20,22)/t12-/m0/s1
InChIKeyDPBUTEASJWLSEX-LBPRGKRZSA-N
XLogP2.31
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.43
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [2-[[(2S)-1-methoxypropan-2-yl]amino]-2-oxoethyl] 3-(thiophene-2-carbonylamino)benzoate 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-oxo-2-[[(2R)-pentan-2-yl]amino]ethyl] 3-(thiophene-2-carbonylamino)benzoate
CID 7888749
N-[3-(1-methoxypropan-2-ylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 18161069
[2-(3-chloroanilino)-2-oxoethyl] 3-(thiophene-2-carbonylamino)benzoate
CID 7491904
[2-(2,3-dimethylanilino)-2-oxoethyl] 3-(thiophene-2-carbonylamino)benzoate
CID 7491917
[2-(2-acetylanilino)-2-oxoethyl] 3-(thiophene-2-carbonylamino)benzoate
CID 30817856
N-[(2S)-1-methoxypropan-2-yl]thiophene-2-carboxamide
CID 670280
[2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 3-(thiophene-2-carbonylamino)benzoate
CID 7888809
[(2S)-1-amino-1-oxopropan-2-yl] 3-(thiophene-2-carbonylamino)benzoate
CID 8597716
methyl 3-[2-(thiophene-2-carbonylamino)propanoylamino]benzoate
CID 134055695
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 3-(thiophene-2-carbonylamino)benzoate
CID 7888732
[2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 3-(thiophene-2-carbonylamino)benzoate
CID 30818019
2-(4-methoxyphenyl)ethyl 3-(thiophene-2-carbonylamino)benzoate
CID 7492077

Frequently Asked Questions

What is the IUPAC name of [2-[[(2S)-1-methoxypropan-2-yl]amino]-2-oxoethyl] 3-(thiophene-2-carbonylamino)benzoate?
The IUPAC name of [2-[[(2S)-1-methoxypropan-2-yl]amino]-2-oxoethyl] 3-(thiophene-2-carbonylamino)benzoate (CID 27044974) is [2-[[(2S)-1-methoxypropan-2-yl]amino]-2-oxoethyl] 3-(thiophene-2-carbonylamino)benzoate.
What is the SMILES notation for [2-[[(2S)-1-methoxypropan-2-yl]amino]-2-oxoethyl] 3-(thiophene-2-carbonylamino)benzoate?
The canonical SMILES for [2-[[(2S)-1-methoxypropan-2-yl]amino]-2-oxoethyl] 3-(thiophene-2-carbonylamino)benzoate is COC[C@H](C)NC(=O)COC(=O)c1cccc(NC(=O)c2cccs2)c1.
What is the InChIKey of [2-[[(2S)-1-methoxypropan-2-yl]amino]-2-oxoethyl] 3-(thiophene-2-carbonylamino)benzoate?
The InChIKey is DPBUTEASJWLSEX-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H20N2O5S/c1-12(10-24-2)19-16(21)11-25-18(23)13-5-3-6-14(9-13)20-17(22)15-7-4-8-26-15/h3-9,12H,10-11H2,1-2H3,(H,19,21)(H,20,22)/t12-/m0/s1.
What are the key properties of [2-[[(2S)-1-methoxypropan-2-yl]amino]-2-oxoethyl] 3-(thiophene-2-carbonylamino)benzoate?
[2-[[(2S)-1-methoxypropan-2-yl]amino]-2-oxoethyl] 3-(thiophene-2-carbonylamino)benzoate has a molecular weight of 376.43 g/mol, XLogP of 2.31, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[(2S)-1-methoxypropan-2-yl]amino]-2-oxoethyl] 3-(thiophene-2-carbonylamino)benzoate is sourced from PubChem (CID 27044974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).