methyl 3-(6-fluoro-1H-indol-3-yl)-2-(thiophene-3-carbonylamino)propanoate

C17H15FN2O3S — CID 75424604

IUPACmethyl 3-(6-fluoro-1H-indol-3-yl)-2-(thiophene-3-carbonylamino)propanoate
SMILESCOC(=O)C(Cc1c[nH]c2cc(F)ccc12)NC(=O)c1ccsc1
InChIInChI=1S/C17H15FN2O3S/c1-23-17(22)15(20-16(21)10-4-5-24-9-10)6-11-8-19-14-7-12(18)2-3-13(11)14/h2-5,7-9,15,19H,6H2,1H3,(H,20,21)
InChIKeyAXXLEADFGVTUPR-UHFFFAOYSA-N
MW346.38 g/mol
LogP2.88
Rot. Bonds5

About methyl 3-(6-fluoro-1H-indol-3-yl)-2-(thiophene-3-carbonylamino)propanoate

methyl 3-(6-fluoro-1H-indol-3-yl)-2-(thiophene-3-carbonylamino)propanoate (PubChem CID 75424604) has the molecular formula C17H15FN2O3S and a molecular weight of 346.38 g/mol. Its IUPAC name is methyl 3-(6-fluoro-1H-indol-3-yl)-2-(thiophene-3-carbonylamino)propanoate.

Molecular Properties

Compound Namemethyl 3-(6-fluoro-1H-indol-3-yl)-2-(thiophene-3-carbonylamino)propanoate
PubChem CID75424604
Molecular FormulaC17H15FN2O3S
Molecular Weight346.38 g/mol
Exact Mass346.08
IUPAC Namemethyl 3-(6-fluoro-1H-indol-3-yl)-2-(thiophene-3-carbonylamino)propanoate
SMILESCOC(=O)C(Cc1c[nH]c2cc(F)ccc12)NC(=O)c1ccsc1
InChIInChI=1S/C17H15FN2O3S/c1-23-17(22)15(20-16(21)10-4-5-24-9-10)6-11-8-19-14-7-12(18)2-3-13(11)14/h2-5,7-9,15,19H,6H2,1H3,(H,20,21)
InChIKeyAXXLEADFGVTUPR-UHFFFAOYSA-N
XLogP2.88
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.38
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[(2-amino-3-methoxypropanoyl)amino]-3-(6-fluoro-1H-indol-3-yl)propanoate
CID 120991876
(2S)-2-acetamido-3-(6-fluoro-1H-indol-3-yl)-N-thiophen-3-ylpropanamide
CID 96528885
(2R)-2-acetamido-3-(6-fluoro-1H-indol-3-yl)-N-thiophen-3-ylpropanamide
CID 96528886
methyl (2S)-2-[[2-(6-fluoro-1H-indol-3-yl)-2-oxoacetyl]amino]-3-(1H-indol-3-yl)propanoate
CID 146146366
methyl (2S)-2-benzamido-3-(1H-indol-3-yl)propanoate
CID 644217
methyl (2R)-2-[[4-(4-fluorophenyl)-4-oxobutanoyl]amino]-3-(1H-indol-3-yl)propanoate
CID 2562425
methyl (2S)-2-[[2,3-bis(4-fluorophenyl)quinoxaline-6-carbonyl]amino]-3-(1H-indol-3-yl)propanoate
CID 5276821
methyl (2R)-3-(1H-indol-3-yl)-2-(thiophene-2-carbonylamino)propanoate
CID 6923544
methyl (2S)-3-(1H-indol-3-yl)-2-[(4-phenylbenzoyl)amino]propanoate
CID 7036310
methyl 2-[(4-aminobenzoyl)amino]-3-(1H-indol-3-yl)propanoate
CID 22418639
(2S)-2-(tert-butylamino)-1-(6-fluoro-1H-indol-3-yl)-4,4-dimethylpentan-3-one
CID 171439337
(2S)-3-(6-fluoro-1H-indol-3-yl)-2-methoxypropanoic acid
CID 167015185

Frequently Asked Questions

What is the IUPAC name of methyl 3-(6-fluoro-1H-indol-3-yl)-2-(thiophene-3-carbonylamino)propanoate?
The IUPAC name of methyl 3-(6-fluoro-1H-indol-3-yl)-2-(thiophene-3-carbonylamino)propanoate (CID 75424604) is methyl 3-(6-fluoro-1H-indol-3-yl)-2-(thiophene-3-carbonylamino)propanoate.
What is the SMILES notation for methyl 3-(6-fluoro-1H-indol-3-yl)-2-(thiophene-3-carbonylamino)propanoate?
The canonical SMILES for methyl 3-(6-fluoro-1H-indol-3-yl)-2-(thiophene-3-carbonylamino)propanoate is COC(=O)C(Cc1c[nH]c2cc(F)ccc12)NC(=O)c1ccsc1.
What is the InChIKey of methyl 3-(6-fluoro-1H-indol-3-yl)-2-(thiophene-3-carbonylamino)propanoate?
The InChIKey is AXXLEADFGVTUPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O3S/c1-23-17(22)15(20-16(21)10-4-5-24-9-10)6-11-8-19-14-7-12(18)2-3-13(11)14/h2-5,7-9,15,19H,6H2,1H3,(H,20,21).
What are the key properties of methyl 3-(6-fluoro-1H-indol-3-yl)-2-(thiophene-3-carbonylamino)propanoate?
methyl 3-(6-fluoro-1H-indol-3-yl)-2-(thiophene-3-carbonylamino)propanoate has a molecular weight of 346.38 g/mol, XLogP of 2.88, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(6-fluoro-1H-indol-3-yl)-2-(thiophene-3-carbonylamino)propanoate is sourced from PubChem (CID 75424604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).