[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)propanoate

C16H17NO5S — CID 18285342

IUPAC[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)propanoate
SMILESCc1cc(C(=O)COC(=O)[C@H](C)NC(=O)c2ccco2)c(C)s1
InChIInChI=1S/C16H17NO5S/c1-9-7-12(11(3)23-9)13(18)8-22-16(20)10(2)17-15(19)14-5-4-6-21-14/h4-7,10H,8H2,1-3H3,(H,17,19)/t10-/m0/s1
InChIKeyWTPCSAKFIZDXQN-JTQLQIEISA-N
MW335.38 g/mol
LogP2.50
Rot. Bonds6

About [2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)propanoate

[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)propanoate (PubChem CID 18285342) has the molecular formula C16H17NO5S and a molecular weight of 335.38 g/mol. Its IUPAC name is [2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)propanoate.

Molecular Properties

Compound Name[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)propanoate
PubChem CID18285342
Molecular FormulaC16H17NO5S
Molecular Weight335.38 g/mol
Exact Mass335.08
IUPAC Name[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)propanoate
SMILESCc1cc(C(=O)COC(=O)[C@H](C)NC(=O)c2ccco2)c(C)s1
InChIInChI=1S/C16H17NO5S/c1-9-7-12(11(3)23-9)13(18)8-22-16(20)10(2)17-15(19)14-5-4-6-21-14/h4-7,10H,8H2,1-3H3,(H,17,19)/t10-/m0/s1
InChIKeyWTPCSAKFIZDXQN-JTQLQIEISA-N
XLogP2.50
TPSA85.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.38
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-[[(1R)-1-(furan-2-yl)ethyl]amino]-2-oxoethyl] 2,5-dimethylthiophene-3-carboxylate
CID 8644747
[2-oxo-2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl] 2-(furan-2-carbonylamino)propanoate
CID 42971861
[2-(2-ethyl-6-methylanilino)-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)propanoate
CID 7570965
methyl 2-[2-(furan-2-carbonylamino)propanoyloxymethyl]furan-3-carboxylate
CID 42936087
[2-[[2-(3,4-difluoroanilino)-2-oxoethyl]amino]-2-oxoethyl] (2R)-2-(furan-2-carbonylamino)propanoate
CID 39968538
[2-(4-methyl-3-nitroanilino)-2-oxoethyl] (2R)-2-(furan-2-carbonylamino)propanoate
CID 2110544
(2S)-2-(furan-2-carbonylamino)propanoic acid
CID 792932
[3-(trifluoromethyl)phenyl]methyl (2R)-2-(furan-2-carbonylamino)propanoate
CID 2427745
[2-[(2-fluorophenyl)methylamino]-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)propanoate
CID 8847052
undec-10-enyl 2-(furan-2-carbonylamino)propanoate
CID 6423003
N-[(2R)-1-[[(1R)-1-(2,5-dimethylthiophen-3-yl)ethyl]amino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
CID 51937998
[2-(2,3-dimethyl-6-nitroanilino)-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)propanoate
CID 7571064

Frequently Asked Questions

What is the IUPAC name of [2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)propanoate?
The IUPAC name of [2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)propanoate (CID 18285342) is [2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)propanoate.
What is the SMILES notation for [2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)propanoate?
The canonical SMILES for [2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)propanoate is Cc1cc(C(=O)COC(=O)[C@H](C)NC(=O)c2ccco2)c(C)s1.
What is the InChIKey of [2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)propanoate?
The InChIKey is WTPCSAKFIZDXQN-JTQLQIEISA-N. The full InChI is InChI=1S/C16H17NO5S/c1-9-7-12(11(3)23-9)13(18)8-22-16(20)10(2)17-15(19)14-5-4-6-21-14/h4-7,10H,8H2,1-3H3,(H,17,19)/t10-/m0/s1.
What are the key properties of [2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)propanoate?
[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)propanoate has a molecular weight of 335.38 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)propanoate is sourced from PubChem (CID 18285342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).