N-[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]-2-oxo-1,3-dihydroindole-5-sulfonamide

C20H21N3O4S — CID 110358483

IUPACN-[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]-2-oxo-1,3-dihydroindole-5-sulfonamide
SMILESCC(C)C(=O)N1CCc2cc(NS(=O)(=O)c3ccc4c(c3)CC(=O)N4)ccc21
InChIInChI=1S/C20H21N3O4S/c1-12(2)20(25)23-8-7-13-9-15(3-6-18(13)23)22-28(26,27)16-4-5-17-14(10-16)11-19(24)21-17/h3-6,9-10,12,22H,7-8,11H2,1-2H3,(H,21,24)
InChIKeySLDOOVKLXRIQPZ-UHFFFAOYSA-N
MW399.47 g/mol
LogP2.53
Rot. Bonds4

About N-[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]-2-oxo-1,3-dihydroindole-5-sulfonamide

N-[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]-2-oxo-1,3-dihydroindole-5-sulfonamide (PubChem CID 110358483) has the molecular formula C20H21N3O4S and a molecular weight of 399.47 g/mol. Its IUPAC name is N-[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]-2-oxo-1,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound NameN-[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]-2-oxo-1,3-dihydroindole-5-sulfonamide
PubChem CID110358483
Molecular FormulaC20H21N3O4S
Molecular Weight399.47 g/mol
Exact Mass399.13
IUPAC NameN-[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]-2-oxo-1,3-dihydroindole-5-sulfonamide
SMILESCC(C)C(=O)N1CCc2cc(NS(=O)(=O)c3ccc4c(c3)CC(=O)N4)ccc21
InChIInChI=1S/C20H21N3O4S/c1-12(2)20(25)23-8-7-13-9-15(3-6-18(13)23)22-28(26,27)16-4-5-17-14(10-16)11-19(24)21-17/h3-6,9-10,12,22H,7-8,11H2,1-2H3,(H,21,24)
InChIKeySLDOOVKLXRIQPZ-UHFFFAOYSA-N
XLogP2.53
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.47
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-dimethyl-N-[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]benzenesulfonamide
CID 110358460
N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]naphthalene-2-sulfonamide
CID 7498928
N-(2-oxo-1,3-dihydroindol-5-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 20933336
N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 44825291
4-fluoro-N-(2-oxo-1,3-dihydroindol-5-yl)benzenesulfonamide
CID 18570748
5-ethyl-N-[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]thiophene-2-sulfonamide
CID 110358472
N-(3,4-dichlorophenyl)-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 9055840
N,N-dimethyl-4-[(2-oxo-1,3-dihydroindol-5-yl)sulfonylamino]benzamide
CID 24580874
5-methyl-N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]thiophene-2-sulfonamide
CID 7498939
3,4-dimethoxy-N-(2-oxo-1,3-dihydroindol-5-yl)benzenesulfonamide
CID 18570747
N-(3-methylphenyl)-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 18197715
1-chloro-N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]methanesulfonamide
CID 7635663

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]-2-oxo-1,3-dihydroindole-5-sulfonamide?
The IUPAC name of N-[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]-2-oxo-1,3-dihydroindole-5-sulfonamide (CID 110358483) is N-[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]-2-oxo-1,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for N-[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]-2-oxo-1,3-dihydroindole-5-sulfonamide?
The canonical SMILES for N-[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]-2-oxo-1,3-dihydroindole-5-sulfonamide is CC(C)C(=O)N1CCc2cc(NS(=O)(=O)c3ccc4c(c3)CC(=O)N4)ccc21.
What is the InChIKey of N-[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]-2-oxo-1,3-dihydroindole-5-sulfonamide?
The InChIKey is SLDOOVKLXRIQPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O4S/c1-12(2)20(25)23-8-7-13-9-15(3-6-18(13)23)22-28(26,27)16-4-5-17-14(10-16)11-19(24)21-17/h3-6,9-10,12,22H,7-8,11H2,1-2H3,(H,21,24).
What are the key properties of N-[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]-2-oxo-1,3-dihydroindole-5-sulfonamide?
N-[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]-2-oxo-1,3-dihydroindole-5-sulfonamide has a molecular weight of 399.47 g/mol, XLogP of 2.53, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]-2-oxo-1,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 110358483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).