methyl 3-[4-(2,3-dihydro-1H-inden-5-ylsulfamoyl)phenoxy]propanoate

C19H21NO5S — CID 47062752

IUPACmethyl 3-[4-(2,3-dihydro-1H-inden-5-ylsulfamoyl)phenoxy]propanoate
SMILESCOC(=O)CCOc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCC3)cc1
InChIInChI=1S/C19H21NO5S/c1-24-19(21)11-12-25-17-7-9-18(10-8-17)26(22,23)20-16-6-5-14-3-2-4-15(14)13-16/h5-10,13,20H,2-4,11-12H2,1H3
InChIKeyHPFTXBJMKIJTGF-UHFFFAOYSA-N
MW375.45 g/mol
LogP2.92
Rot. Bonds7

About methyl 3-[4-(2,3-dihydro-1H-inden-5-ylsulfamoyl)phenoxy]propanoate

methyl 3-[4-(2,3-dihydro-1H-inden-5-ylsulfamoyl)phenoxy]propanoate (PubChem CID 47062752) has the molecular formula C19H21NO5S and a molecular weight of 375.45 g/mol. Its IUPAC name is methyl 3-[4-(2,3-dihydro-1H-inden-5-ylsulfamoyl)phenoxy]propanoate.

Molecular Properties

Compound Namemethyl 3-[4-(2,3-dihydro-1H-inden-5-ylsulfamoyl)phenoxy]propanoate
PubChem CID47062752
Molecular FormulaC19H21NO5S
Molecular Weight375.45 g/mol
Exact Mass375.11
IUPAC Namemethyl 3-[4-(2,3-dihydro-1H-inden-5-ylsulfamoyl)phenoxy]propanoate
SMILESCOC(=O)CCOc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCC3)cc1
InChIInChI=1S/C19H21NO5S/c1-24-19(21)11-12-25-17-7-9-18(10-8-17)26(22,23)20-16-6-5-14-3-2-4-15(14)13-16/h5-10,13,20H,2-4,11-12H2,1H3
InChIKeyHPFTXBJMKIJTGF-UHFFFAOYSA-N
XLogP2.92
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.45
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 3-[4-(2,3-dihydro-1H-inden-5-ylsulfamoyl)phenoxy]propanoate 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

methyl 3-[4-[(3-methylphenyl)sulfamoyl]phenoxy]propanoate
CID 47062658
N-(2,3-dihydro-1H-inden-5-yl)-3-(4-methoxyphenoxy)propanamide
CID 24637635
methyl 3-(2,3-dihydro-1H-inden-5-ylsulfonyl)propanoate
CID 43330679
methyl 2-(2,3-dihydro-1H-inden-5-yloxy)acetate
CID 43082820
1-O-methyl 4-O-(5,6,7,8-tetrahydronaphthalen-2-yl) butanedioate
CID 94274501
N-(2,3-dihydro-1H-inden-5-yl)-2-[(4-methoxyphenyl)sulfonylamino]acetamide
CID 24637643
hydrazinyl 3-(2,3-dihydro-1H-inden-5-yloxy)propanoate
CID 66337101
N-(2-ethylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)-4-propoxybenzenesulfonamide
CID 16926598
N-[2-(2-methylpropanoyl)-3,4-dihydro-1H-isoquinolin-7-yl]-4-propoxybenzenesulfonamide
CID 16943958
methyl 3-[4-[(2,3,4-trifluorophenyl)sulfamoyl]phenoxy]propanoate
CID 47062697
N-(1-acetyl-2,3-dihydroindol-5-yl)-4-propoxybenzenesulfonamide
CID 42388579
3-bromo-N-(2,3-dihydro-1H-inden-5-yl)-4-methoxybenzenesulfonamide
CID 4816110

Frequently Asked Questions

What is the IUPAC name of methyl 3-[4-(2,3-dihydro-1H-inden-5-ylsulfamoyl)phenoxy]propanoate?
The IUPAC name of methyl 3-[4-(2,3-dihydro-1H-inden-5-ylsulfamoyl)phenoxy]propanoate (CID 47062752) is methyl 3-[4-(2,3-dihydro-1H-inden-5-ylsulfamoyl)phenoxy]propanoate.
What is the SMILES notation for methyl 3-[4-(2,3-dihydro-1H-inden-5-ylsulfamoyl)phenoxy]propanoate?
The canonical SMILES for methyl 3-[4-(2,3-dihydro-1H-inden-5-ylsulfamoyl)phenoxy]propanoate is COC(=O)CCOc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCC3)cc1.
What is the InChIKey of methyl 3-[4-(2,3-dihydro-1H-inden-5-ylsulfamoyl)phenoxy]propanoate?
The InChIKey is HPFTXBJMKIJTGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO5S/c1-24-19(21)11-12-25-17-7-9-18(10-8-17)26(22,23)20-16-6-5-14-3-2-4-15(14)13-16/h5-10,13,20H,2-4,11-12H2,1H3.
What are the key properties of methyl 3-[4-(2,3-dihydro-1H-inden-5-ylsulfamoyl)phenoxy]propanoate?
methyl 3-[4-(2,3-dihydro-1H-inden-5-ylsulfamoyl)phenoxy]propanoate has a molecular weight of 375.45 g/mol, XLogP of 2.92, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[4-(2,3-dihydro-1H-inden-5-ylsulfamoyl)phenoxy]propanoate is sourced from PubChem (CID 47062752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).