1-[2-oxo-2-(5-sulfamoyl-2,3-dihydroindol-1-yl)ethyl]-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide

C18H23F3N4O4S — CID 35171895

IUPAC1-[2-oxo-2-(5-sulfamoyl-2,3-dihydroindol-1-yl)ethyl]-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
SMILESNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)CN1CCC(C(=O)NCC(F)(F)F)CC1
InChIInChI=1S/C18H23F3N4O4S/c19-18(20,21)11-23-17(27)12-3-6-24(7-4-12)10-16(26)25-8-5-13-9-14(30(22,28)29)1-2-15(13)25/h1-2,9,12H,3-8,10-11H2,(H,23,27)(H2,22,28,29)
InChIKeyGWQDOSQEVWCITD-UHFFFAOYSA-N
MW448.47 g/mol
LogP0.61
Rot. Bonds5

About 1-[2-oxo-2-(5-sulfamoyl-2,3-dihydroindol-1-yl)ethyl]-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide

1-[2-oxo-2-(5-sulfamoyl-2,3-dihydroindol-1-yl)ethyl]-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide (PubChem CID 35171895) has the molecular formula C18H23F3N4O4S and a molecular weight of 448.47 g/mol. Its IUPAC name is 1-[2-oxo-2-(5-sulfamoyl-2,3-dihydroindol-1-yl)ethyl]-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-oxo-2-(5-sulfamoyl-2,3-dihydroindol-1-yl)ethyl]-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
PubChem CID35171895
Molecular FormulaC18H23F3N4O4S
Molecular Weight448.47 g/mol
Exact Mass448.14
IUPAC Name1-[2-oxo-2-(5-sulfamoyl-2,3-dihydroindol-1-yl)ethyl]-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
SMILESNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)CN1CCC(C(=O)NCC(F)(F)F)CC1
InChIInChI=1S/C18H23F3N4O4S/c19-18(20,21)11-23-17(27)12-3-6-24(7-4-12)10-16(26)25-8-5-13-9-14(30(22,28)29)1-2-15(13)25/h1-2,9,12H,3-8,10-11H2,(H,23,27)(H2,22,28,29)
InChIKeyGWQDOSQEVWCITD-UHFFFAOYSA-N
XLogP0.61
TPSA112.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.47
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]acetyl]-2,3-dihydroindole-5-sulfonamide
CID 16599297
1-[2-[(3R)-3-methylpiperidin-1-yl]acetyl]-2,3-dihydroindole-5-sulfonamide
CID 31539906
1-[2-(4-benzoylpiperazin-1-yl)acetyl]-2,3-dihydroindole-5-sulfonamide
CID 18286340
1-(2,2,2-trifluoroacetyl)-2,3-dihydroindole-5-sulfonamide
CID 57047254
1-[2-[4-(adamantane-1-carbonyl)piperazin-1-yl]acetyl]-2,3-dihydroindole-5-sulfonamide
CID 55478576
N-(2,3-dimethylphenyl)-2-[4-[2-oxo-2-(5-sulfamoyl-2,3-dihydroindol-1-yl)ethyl]piperazin-1-yl]acetamide
CID 16576239
1-(2-methoxyacetyl)-2,3-dihydroindole-5-sulfonamide
CID 60698789
1-but-3-enoyl-2,3-dihydroindole-5-sulfonamide
CID 62678193
1-(2-phenylsulfanylacetyl)-2,3-dihydroindole-5-sulfonamide
CID 71060712
1-[2-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]acetyl]-2,3-dihydroindole-5-sulfonamide
CID 18284239
1-hexanoyl-2,3-dihydroindole-5-sulfonamide
CID 60723591
methyl (3S)-4-[2-oxo-2-(5-sulfamoyl-2,3-dihydroindol-1-yl)ethyl]morpholine-3-carboxylate
CID 95786442

Frequently Asked Questions

What is the IUPAC name of 1-[2-oxo-2-(5-sulfamoyl-2,3-dihydroindol-1-yl)ethyl]-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide?
The IUPAC name of 1-[2-oxo-2-(5-sulfamoyl-2,3-dihydroindol-1-yl)ethyl]-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide (CID 35171895) is 1-[2-oxo-2-(5-sulfamoyl-2,3-dihydroindol-1-yl)ethyl]-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-oxo-2-(5-sulfamoyl-2,3-dihydroindol-1-yl)ethyl]-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[2-oxo-2-(5-sulfamoyl-2,3-dihydroindol-1-yl)ethyl]-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide is NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)CN1CCC(C(=O)NCC(F)(F)F)CC1.
What is the InChIKey of 1-[2-oxo-2-(5-sulfamoyl-2,3-dihydroindol-1-yl)ethyl]-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide?
The InChIKey is GWQDOSQEVWCITD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23F3N4O4S/c19-18(20,21)11-23-17(27)12-3-6-24(7-4-12)10-16(26)25-8-5-13-9-14(30(22,28)29)1-2-15(13)25/h1-2,9,12H,3-8,10-11H2,(H,23,27)(H2,22,28,29).
What are the key properties of 1-[2-oxo-2-(5-sulfamoyl-2,3-dihydroindol-1-yl)ethyl]-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide?
1-[2-oxo-2-(5-sulfamoyl-2,3-dihydroindol-1-yl)ethyl]-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide has a molecular weight of 448.47 g/mol, XLogP of 0.61, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-oxo-2-(5-sulfamoyl-2,3-dihydroindol-1-yl)ethyl]-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide is sourced from PubChem (CID 35171895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).