N-cyclopentyl-1-(2-methoxyacetyl)-2,3-dihydroindole-5-sulfonamide

C16H22N2O4S — CID 19164498

IUPACN-cyclopentyl-1-(2-methoxyacetyl)-2,3-dihydroindole-5-sulfonamide
SMILESCOCC(=O)N1CCc2cc(S(=O)(=O)NC3CCCC3)ccc21
InChIInChI=1S/C16H22N2O4S/c1-22-11-16(19)18-9-8-12-10-14(6-7-15(12)18)23(20,21)17-13-4-2-3-5-13/h6-7,10,13,17H,2-5,8-9,11H2,1H3
InChIKeyYEEXTAMPCRZCJJ-UHFFFAOYSA-N
MW338.43 g/mol
LogP1.44
Rot. Bonds5

About N-cyclopentyl-1-(2-methoxyacetyl)-2,3-dihydroindole-5-sulfonamide

N-cyclopentyl-1-(2-methoxyacetyl)-2,3-dihydroindole-5-sulfonamide (PubChem CID 19164498) has the molecular formula C16H22N2O4S and a molecular weight of 338.43 g/mol. Its IUPAC name is N-cyclopentyl-1-(2-methoxyacetyl)-2,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound NameN-cyclopentyl-1-(2-methoxyacetyl)-2,3-dihydroindole-5-sulfonamide
PubChem CID19164498
Molecular FormulaC16H22N2O4S
Molecular Weight338.43 g/mol
Exact Mass338.13
IUPAC NameN-cyclopentyl-1-(2-methoxyacetyl)-2,3-dihydroindole-5-sulfonamide
SMILESCOCC(=O)N1CCc2cc(S(=O)(=O)NC3CCCC3)ccc21
InChIInChI=1S/C16H22N2O4S/c1-22-11-16(19)18-9-8-12-10-14(6-7-15(12)18)23(20,21)17-13-4-2-3-5-13/h6-7,10,13,17H,2-5,8-9,11H2,1H3
InChIKeyYEEXTAMPCRZCJJ-UHFFFAOYSA-N
XLogP1.44
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-1-(2-methoxyacetyl)-2,3-dihydroindole-5-sulfonamide?
The IUPAC name of N-cyclopentyl-1-(2-methoxyacetyl)-2,3-dihydroindole-5-sulfonamide (CID 19164498) is N-cyclopentyl-1-(2-methoxyacetyl)-2,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for N-cyclopentyl-1-(2-methoxyacetyl)-2,3-dihydroindole-5-sulfonamide?
The canonical SMILES for N-cyclopentyl-1-(2-methoxyacetyl)-2,3-dihydroindole-5-sulfonamide is COCC(=O)N1CCc2cc(S(=O)(=O)NC3CCCC3)ccc21.
What is the InChIKey of N-cyclopentyl-1-(2-methoxyacetyl)-2,3-dihydroindole-5-sulfonamide?
The InChIKey is YEEXTAMPCRZCJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O4S/c1-22-11-16(19)18-9-8-12-10-14(6-7-15(12)18)23(20,21)17-13-4-2-3-5-13/h6-7,10,13,17H,2-5,8-9,11H2,1H3.
What are the key properties of N-cyclopentyl-1-(2-methoxyacetyl)-2,3-dihydroindole-5-sulfonamide?
N-cyclopentyl-1-(2-methoxyacetyl)-2,3-dihydroindole-5-sulfonamide has a molecular weight of 338.43 g/mol, XLogP of 1.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-1-(2-methoxyacetyl)-2,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 19164498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).