N-ethyl-1-(5-ethylthiophen-2-yl)sulfonyl-2,3-dihydroindole-2-carboxamide

C17H20N2O3S2 — CID 16831416

IUPACN-ethyl-1-(5-ethylthiophen-2-yl)sulfonyl-2,3-dihydroindole-2-carboxamide
SMILESCCNC(=O)C1Cc2ccccc2N1S(=O)(=O)c1ccc(CC)s1
InChIInChI=1S/C17H20N2O3S2/c1-3-13-9-10-16(23-13)24(21,22)19-14-8-6-5-7-12(14)11-15(19)17(20)18-4-2/h5-10,15H,3-4,11H2,1-2H3,(H,18,20)
InChIKeyITHMMMZDAYDXED-UHFFFAOYSA-N
MW364.49 g/mol
LogP2.57
Rot. Bonds5

About N-ethyl-1-(5-ethylthiophen-2-yl)sulfonyl-2,3-dihydroindole-2-carboxamide

N-ethyl-1-(5-ethylthiophen-2-yl)sulfonyl-2,3-dihydroindole-2-carboxamide (PubChem CID 16831416) has the molecular formula C17H20N2O3S2 and a molecular weight of 364.49 g/mol. Its IUPAC name is N-ethyl-1-(5-ethylthiophen-2-yl)sulfonyl-2,3-dihydroindole-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-1-(5-ethylthiophen-2-yl)sulfonyl-2,3-dihydroindole-2-carboxamide
PubChem CID16831416
Molecular FormulaC17H20N2O3S2
Molecular Weight364.49 g/mol
Exact Mass364.09
IUPAC NameN-ethyl-1-(5-ethylthiophen-2-yl)sulfonyl-2,3-dihydroindole-2-carboxamide
SMILESCCNC(=O)C1Cc2ccccc2N1S(=O)(=O)c1ccc(CC)s1
InChIInChI=1S/C17H20N2O3S2/c1-3-13-9-10-16(23-13)24(21,22)19-14-8-6-5-7-12(14)11-15(19)17(20)18-4-2/h5-10,15H,3-4,11H2,1-2H3,(H,18,20)
InChIKeyITHMMMZDAYDXED-UHFFFAOYSA-N
XLogP2.57
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(5-ethylthiophen-2-yl)sulfonyl-2,3-dihydroindole-2-carboxamide?
The IUPAC name of N-ethyl-1-(5-ethylthiophen-2-yl)sulfonyl-2,3-dihydroindole-2-carboxamide (CID 16831416) is N-ethyl-1-(5-ethylthiophen-2-yl)sulfonyl-2,3-dihydroindole-2-carboxamide.
What is the SMILES notation for N-ethyl-1-(5-ethylthiophen-2-yl)sulfonyl-2,3-dihydroindole-2-carboxamide?
The canonical SMILES for N-ethyl-1-(5-ethylthiophen-2-yl)sulfonyl-2,3-dihydroindole-2-carboxamide is CCNC(=O)C1Cc2ccccc2N1S(=O)(=O)c1ccc(CC)s1.
What is the InChIKey of N-ethyl-1-(5-ethylthiophen-2-yl)sulfonyl-2,3-dihydroindole-2-carboxamide?
The InChIKey is ITHMMMZDAYDXED-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3S2/c1-3-13-9-10-16(23-13)24(21,22)19-14-8-6-5-7-12(14)11-15(19)17(20)18-4-2/h5-10,15H,3-4,11H2,1-2H3,(H,18,20).
What are the key properties of N-ethyl-1-(5-ethylthiophen-2-yl)sulfonyl-2,3-dihydroindole-2-carboxamide?
N-ethyl-1-(5-ethylthiophen-2-yl)sulfonyl-2,3-dihydroindole-2-carboxamide has a molecular weight of 364.49 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(5-ethylthiophen-2-yl)sulfonyl-2,3-dihydroindole-2-carboxamide is sourced from PubChem (CID 16831416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).