methyl 3-(2,3-dihydro-1H-inden-5-ylsulfonylamino)-3-thiophen-2-ylpropanoate

C17H19NO4S2 — CID 46514669

IUPACmethyl 3-(2,3-dihydro-1H-inden-5-ylsulfonylamino)-3-thiophen-2-ylpropanoate
SMILESCOC(=O)CC(NS(=O)(=O)c1ccc2c(c1)CCC2)c1cccs1
InChIInChI=1S/C17H19NO4S2/c1-22-17(19)11-15(16-6-3-9-23-16)18-24(20,21)14-8-7-12-4-2-5-13(12)10-14/h3,6-10,15,18H,2,4-5,11H2,1H3
InChIKeyMOQUPGVTYJKLKS-UHFFFAOYSA-N
MW365.48 g/mol
LogP2.82
Rot. Bonds6

About methyl 3-(2,3-dihydro-1H-inden-5-ylsulfonylamino)-3-thiophen-2-ylpropanoate

methyl 3-(2,3-dihydro-1H-inden-5-ylsulfonylamino)-3-thiophen-2-ylpropanoate (PubChem CID 46514669) has the molecular formula C17H19NO4S2 and a molecular weight of 365.48 g/mol. Its IUPAC name is methyl 3-(2,3-dihydro-1H-inden-5-ylsulfonylamino)-3-thiophen-2-ylpropanoate.

Molecular Properties

Compound Namemethyl 3-(2,3-dihydro-1H-inden-5-ylsulfonylamino)-3-thiophen-2-ylpropanoate
PubChem CID46514669
Molecular FormulaC17H19NO4S2
Molecular Weight365.48 g/mol
Exact Mass365.08
IUPAC Namemethyl 3-(2,3-dihydro-1H-inden-5-ylsulfonylamino)-3-thiophen-2-ylpropanoate
SMILESCOC(=O)CC(NS(=O)(=O)c1ccc2c(c1)CCC2)c1cccs1
InChIInChI=1S/C17H19NO4S2/c1-22-17(19)11-15(16-6-3-9-23-16)18-24(20,21)14-8-7-12-4-2-5-13(12)10-14/h3,6-10,15,18H,2,4-5,11H2,1H3
InChIKeyMOQUPGVTYJKLKS-UHFFFAOYSA-N
XLogP2.82
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 3-(2,3-dihydro-1H-inden-5-ylsulfonylamino)-3-thiophen-2-ylpropanoate with MolForge

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Related Compounds

methyl 3-(benzenesulfonamido)-3-thiophen-2-ylpropanoate
CID 60715441
methyl 3-[(4-methoxyphenyl)sulfonylamino]-3-thiophen-2-ylpropanoate
CID 46514642
N-(1-thiophen-2-ylethyl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 43001337
N-(2-hydroxy-2-thiophen-2-ylethyl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 110663311
methyl 3-(2,3-dihydro-1H-inden-5-ylsulfonyl)propanoate
CID 43330679
methyl 3-(cyclopropylamino)-3-thiophen-2-ylpropanoate
CID 103439049
methyl (2R)-2-(2,3-dihydro-1H-inden-5-ylsulfonylamino)propanoate
CID 113257635
methyl (3S)-3-(cyclohexylmethylsulfonylamino)-3-thiophen-2-ylpropanoate
CID 95733855
methyl (3R)-3-[(2-phenylphenyl)sulfonylamino]-3-thiophen-2-ylpropanoate
CID 39983352
3-[(3-methoxy-3-oxo-1-thiophen-2-ylpropyl)sulfamoyl]propanoic acid
CID 43714462
N-[(S)-thiophen-2-yl(thiophen-3-yl)methyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 129355139
N-[(2S)-2-thiophen-2-yl-2-thiophen-2-ylsulfonylethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 41193831

Frequently Asked Questions

What is the IUPAC name of methyl 3-(2,3-dihydro-1H-inden-5-ylsulfonylamino)-3-thiophen-2-ylpropanoate?
The IUPAC name of methyl 3-(2,3-dihydro-1H-inden-5-ylsulfonylamino)-3-thiophen-2-ylpropanoate (CID 46514669) is methyl 3-(2,3-dihydro-1H-inden-5-ylsulfonylamino)-3-thiophen-2-ylpropanoate.
What is the SMILES notation for methyl 3-(2,3-dihydro-1H-inden-5-ylsulfonylamino)-3-thiophen-2-ylpropanoate?
The canonical SMILES for methyl 3-(2,3-dihydro-1H-inden-5-ylsulfonylamino)-3-thiophen-2-ylpropanoate is COC(=O)CC(NS(=O)(=O)c1ccc2c(c1)CCC2)c1cccs1.
What is the InChIKey of methyl 3-(2,3-dihydro-1H-inden-5-ylsulfonylamino)-3-thiophen-2-ylpropanoate?
The InChIKey is MOQUPGVTYJKLKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO4S2/c1-22-17(19)11-15(16-6-3-9-23-16)18-24(20,21)14-8-7-12-4-2-5-13(12)10-14/h3,6-10,15,18H,2,4-5,11H2,1H3.
What are the key properties of methyl 3-(2,3-dihydro-1H-inden-5-ylsulfonylamino)-3-thiophen-2-ylpropanoate?
methyl 3-(2,3-dihydro-1H-inden-5-ylsulfonylamino)-3-thiophen-2-ylpropanoate has a molecular weight of 365.48 g/mol, XLogP of 2.82, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2,3-dihydro-1H-inden-5-ylsulfonylamino)-3-thiophen-2-ylpropanoate is sourced from PubChem (CID 46514669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).