2,3-dihydro-1H-inden-5-yl 3-[(4-ethylphenyl)sulfonylamino]propanoate

C20H23NO4S — CID 67677254

IUPAC2,3-dihydro-1H-inden-5-yl 3-[(4-ethylphenyl)sulfonylamino]propanoate
SMILESCCc1ccc(S(=O)(=O)NCCC(=O)Oc2ccc3c(c2)CCC3)cc1
InChIInChI=1S/C20H23NO4S/c1-2-15-6-10-19(11-7-15)26(23,24)21-13-12-20(22)25-18-9-8-16-4-3-5-17(16)14-18/h6-11,14,21H,2-5,12-13H2,1H3
InChIKeyWSABXPWWXHFXEP-UHFFFAOYSA-N
MW373.47 g/mol
LogP3.01
Rot. Bonds7

About 2,3-dihydro-1H-inden-5-yl 3-[(4-ethylphenyl)sulfonylamino]propanoate

2,3-dihydro-1H-inden-5-yl 3-[(4-ethylphenyl)sulfonylamino]propanoate (PubChem CID 67677254) has the molecular formula C20H23NO4S and a molecular weight of 373.47 g/mol. Its IUPAC name is 2,3-dihydro-1H-inden-5-yl 3-[(4-ethylphenyl)sulfonylamino]propanoate.

Molecular Properties

Compound Name2,3-dihydro-1H-inden-5-yl 3-[(4-ethylphenyl)sulfonylamino]propanoate
PubChem CID67677254
Molecular FormulaC20H23NO4S
Molecular Weight373.47 g/mol
Exact Mass373.13
IUPAC Name2,3-dihydro-1H-inden-5-yl 3-[(4-ethylphenyl)sulfonylamino]propanoate
SMILESCCc1ccc(S(=O)(=O)NCCC(=O)Oc2ccc3c(c2)CCC3)cc1
InChIInChI=1S/C20H23NO4S/c1-2-15-6-10-19(11-7-15)26(23,24)21-13-12-20(22)25-18-9-8-16-4-3-5-17(16)14-18/h6-11,14,21H,2-5,12-13H2,1H3
InChIKeyWSABXPWWXHFXEP-UHFFFAOYSA-N
XLogP3.01
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.47
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-4-ethylbenzenesulfonamide
CID 113101493
1-O-methyl 4-O-(5,6,7,8-tetrahydronaphthalen-2-yl) butanedioate
CID 94274501
5,6,7,8-tetrahydronaphthalen-2-yl 2-(4-ethylphenoxy)acetate
CID 110493680
ethyl 4-[2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)acetyl]oxybenzoate
CID 9455692
[2-[di(propan-2-yl)amino]-2-oxoethyl] 3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanoate
CID 7829786
[(1R)-1-cyanoethyl] 3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanoate
CID 7829793
2,3-dihydro-1H-inden-5-yl 5-(ethylamino)-5-oxopentanoate
CID 71988360
(4-nitrophenyl)methyl 3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanoate
CID 7829798
N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-3-[(4-fluorophenyl)sulfonylamino]propanamide
CID 55953414
[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl] 3-(benzenesulfonamido)propanoate
CID 8574767
[2-(2-methoxyethylamino)-2-oxoethyl] 3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanoate
CID 7829779
methyl 3-[2-(2,3-dihydro-1H-inden-5-yl)ethylamino]propanoate
CID 115232486

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-inden-5-yl 3-[(4-ethylphenyl)sulfonylamino]propanoate?
The IUPAC name of 2,3-dihydro-1H-inden-5-yl 3-[(4-ethylphenyl)sulfonylamino]propanoate (CID 67677254) is 2,3-dihydro-1H-inden-5-yl 3-[(4-ethylphenyl)sulfonylamino]propanoate.
What is the SMILES notation for 2,3-dihydro-1H-inden-5-yl 3-[(4-ethylphenyl)sulfonylamino]propanoate?
The canonical SMILES for 2,3-dihydro-1H-inden-5-yl 3-[(4-ethylphenyl)sulfonylamino]propanoate is CCc1ccc(S(=O)(=O)NCCC(=O)Oc2ccc3c(c2)CCC3)cc1.
What is the InChIKey of 2,3-dihydro-1H-inden-5-yl 3-[(4-ethylphenyl)sulfonylamino]propanoate?
The InChIKey is WSABXPWWXHFXEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO4S/c1-2-15-6-10-19(11-7-15)26(23,24)21-13-12-20(22)25-18-9-8-16-4-3-5-17(16)14-18/h6-11,14,21H,2-5,12-13H2,1H3.
What are the key properties of 2,3-dihydro-1H-inden-5-yl 3-[(4-ethylphenyl)sulfonylamino]propanoate?
2,3-dihydro-1H-inden-5-yl 3-[(4-ethylphenyl)sulfonylamino]propanoate has a molecular weight of 373.47 g/mol, XLogP of 3.01, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1H-inden-5-yl 3-[(4-ethylphenyl)sulfonylamino]propanoate is sourced from PubChem (CID 67677254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).