N-tert-butyl-1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3,5-dimethylpyrazole-4-sulfonamide

C19H26N4O3S — CID 8901127

IUPACN-tert-butyl-1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3,5-dimethylpyrazole-4-sulfonamide
SMILESCc1nn(CC(=O)N2CCc3ccccc32)c(C)c1S(=O)(=O)NC(C)(C)C
InChIInChI=1S/C19H26N4O3S/c1-13-18(27(25,26)21-19(3,4)5)14(2)23(20-13)12-17(24)22-11-10-15-8-6-7-9-16(15)22/h6-9,21H,10-12H2,1-5H3
InChIKeyZAEVIPJREOVIIG-UHFFFAOYSA-N
MW390.51 g/mol
LogP2.17
Rot. Bonds4

About N-tert-butyl-1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3,5-dimethylpyrazole-4-sulfonamide

N-tert-butyl-1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3,5-dimethylpyrazole-4-sulfonamide (PubChem CID 8901127) has the molecular formula C19H26N4O3S and a molecular weight of 390.51 g/mol. Its IUPAC name is N-tert-butyl-1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3,5-dimethylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-tert-butyl-1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3,5-dimethylpyrazole-4-sulfonamide
PubChem CID8901127
Molecular FormulaC19H26N4O3S
Molecular Weight390.51 g/mol
Exact Mass390.17
IUPAC NameN-tert-butyl-1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3,5-dimethylpyrazole-4-sulfonamide
SMILESCc1nn(CC(=O)N2CCc3ccccc32)c(C)c1S(=O)(=O)NC(C)(C)C
InChIInChI=1S/C19H26N4O3S/c1-13-18(27(25,26)21-19(3,4)5)14(2)23(20-13)12-17(24)22-11-10-15-8-6-7-9-16(15)22/h6-9,21H,10-12H2,1-5H3
InChIKeyZAEVIPJREOVIIG-UHFFFAOYSA-N
XLogP2.17
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3,5-dimethylpyrazole-4-sulfonamide?
The IUPAC name of N-tert-butyl-1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3,5-dimethylpyrazole-4-sulfonamide (CID 8901127) is N-tert-butyl-1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3,5-dimethylpyrazole-4-sulfonamide.
What is the SMILES notation for N-tert-butyl-1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3,5-dimethylpyrazole-4-sulfonamide?
The canonical SMILES for N-tert-butyl-1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3,5-dimethylpyrazole-4-sulfonamide is Cc1nn(CC(=O)N2CCc3ccccc32)c(C)c1S(=O)(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3,5-dimethylpyrazole-4-sulfonamide?
The InChIKey is ZAEVIPJREOVIIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O3S/c1-13-18(27(25,26)21-19(3,4)5)14(2)23(20-13)12-17(24)22-11-10-15-8-6-7-9-16(15)22/h6-9,21H,10-12H2,1-5H3.
What are the key properties of N-tert-butyl-1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3,5-dimethylpyrazole-4-sulfonamide?
N-tert-butyl-1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3,5-dimethylpyrazole-4-sulfonamide has a molecular weight of 390.51 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3,5-dimethylpyrazole-4-sulfonamide is sourced from PubChem (CID 8901127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).