ethyl 4-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonylamino]benzoate

C20H22N2O5S — CID 15990560

IUPACethyl 4-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonylamino]benzoate
SMILESCCOC(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)CCN3C(=O)CC)cc1
InChIInChI=1S/C20H22N2O5S/c1-3-19(23)22-12-11-15-13-17(9-10-18(15)22)28(25,26)21-16-7-5-14(6-8-16)20(24)27-4-2/h5-10,13,21H,3-4,11-12H2,1-2H3
InChIKeyQQMJSWFDDCBCCM-UHFFFAOYSA-N
MW402.47 g/mol
LogP2.96
Rot. Bonds6

About ethyl 4-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonylamino]benzoate

ethyl 4-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonylamino]benzoate (PubChem CID 15990560) has the molecular formula C20H22N2O5S and a molecular weight of 402.47 g/mol. Its IUPAC name is ethyl 4-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonylamino]benzoate.

Molecular Properties

Compound Nameethyl 4-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonylamino]benzoate
PubChem CID15990560
Molecular FormulaC20H22N2O5S
Molecular Weight402.47 g/mol
Exact Mass402.12
IUPAC Nameethyl 4-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonylamino]benzoate
SMILESCCOC(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)CCN3C(=O)CC)cc1
InChIInChI=1S/C20H22N2O5S/c1-3-19(23)22-12-11-15-13-17(9-10-18(15)22)28(25,26)21-16-7-5-14(6-8-16)20(24)27-4-2/h5-10,13,21H,3-4,11-12H2,1-2H3
InChIKeyQQMJSWFDDCBCCM-UHFFFAOYSA-N
XLogP2.96
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.47
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonylamino]benzoate?
The IUPAC name of ethyl 4-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonylamino]benzoate (CID 15990560) is ethyl 4-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonylamino]benzoate.
What is the SMILES notation for ethyl 4-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonylamino]benzoate?
The canonical SMILES for ethyl 4-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonylamino]benzoate is CCOC(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)CCN3C(=O)CC)cc1.
What is the InChIKey of ethyl 4-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonylamino]benzoate?
The InChIKey is QQMJSWFDDCBCCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O5S/c1-3-19(23)22-12-11-15-13-17(9-10-18(15)22)28(25,26)21-16-7-5-14(6-8-16)20(24)27-4-2/h5-10,13,21H,3-4,11-12H2,1-2H3.
What are the key properties of ethyl 4-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonylamino]benzoate?
ethyl 4-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonylamino]benzoate has a molecular weight of 402.47 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonylamino]benzoate is sourced from PubChem (CID 15990560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).