(3R)-3-methyl-N-[(1R)-1-naphthalen-1-ylethyl]-2-oxo-1,3-dihydroindole-5-sulfonamide

C21H20N2O3S — CID 9188900

IUPAC(3R)-3-methyl-N-[(1R)-1-naphthalen-1-ylethyl]-2-oxo-1,3-dihydroindole-5-sulfonamide
SMILESC[C@@H](NS(=O)(=O)c1ccc2c(c1)[C@@H](C)C(=O)N2)c1cccc2ccccc12
InChIInChI=1S/C21H20N2O3S/c1-13-19-12-16(10-11-20(19)22-21(13)24)27(25,26)23-14(2)17-9-5-7-15-6-3-4-8-18(15)17/h3-14,23H,1-2H3,(H,22,24)/t13-,14-/m1/s1
InChIKeyLJAAPDBFKAUWCQ-ZIAGYGMSSA-N
MW380.47 g/mol
LogP3.93
Rot. Bonds4

About (3R)-3-methyl-N-[(1R)-1-naphthalen-1-ylethyl]-2-oxo-1,3-dihydroindole-5-sulfonamide

(3R)-3-methyl-N-[(1R)-1-naphthalen-1-ylethyl]-2-oxo-1,3-dihydroindole-5-sulfonamide (PubChem CID 9188900) has the molecular formula C21H20N2O3S and a molecular weight of 380.47 g/mol. Its IUPAC name is (3R)-3-methyl-N-[(1R)-1-naphthalen-1-ylethyl]-2-oxo-1,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound Name(3R)-3-methyl-N-[(1R)-1-naphthalen-1-ylethyl]-2-oxo-1,3-dihydroindole-5-sulfonamide
PubChem CID9188900
Molecular FormulaC21H20N2O3S
Molecular Weight380.47 g/mol
Exact Mass380.12
IUPAC Name(3R)-3-methyl-N-[(1R)-1-naphthalen-1-ylethyl]-2-oxo-1,3-dihydroindole-5-sulfonamide
SMILESC[C@@H](NS(=O)(=O)c1ccc2c(c1)[C@@H](C)C(=O)N2)c1cccc2ccccc12
InChIInChI=1S/C21H20N2O3S/c1-13-19-12-16(10-11-20(19)22-21(13)24)27(25,26)23-14(2)17-9-5-7-15-6-3-4-8-18(15)17/h3-14,23H,1-2H3,(H,22,24)/t13-,14-/m1/s1
InChIKeyLJAAPDBFKAUWCQ-ZIAGYGMSSA-N
XLogP3.93
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-N-[(1S)-1-(3-chlorophenyl)ethyl]-3-methyl-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 9188708
(3R)-N-[(1R)-1-(4-bromophenyl)ethyl]-3-methyl-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 9188763
(3R)-N-[(1R)-1-(3,4-difluorophenyl)ethyl]-3-methyl-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 9188790
(2S)-N-ethyl-2-[[(3R)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]sulfonylamino]propanamide
CID 9190126
N-(2-amino-1-cyclopropylethyl)-3-methyl-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 65189183
methyl (2R,3S)-3-methyl-2-[[(3S)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]sulfonylamino]pentanoate
CID 9188460
(3R)-3-methyl-2-oxo-N-(2-phenylethyl)-1,3-dihydroindole-5-sulfonamide
CID 9186065
N-(1-naphthalen-1-ylethyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 46799948
N-(1-naphthalen-1-ylethyl)-4-nitrobenzenesulfonamide
CID 55353964
2-hydroxy-3-[(3-methyl-2-oxo-1,3-dihydroindol-5-yl)sulfonylamino]propanoic acid
CID 66165853
(3R)-N-[(2-methoxyphenyl)methyl]-3-methyl-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 9186876
N-methyl-2-[[(3R)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]sulfonylamino]acetamide
CID 9189795

Frequently Asked Questions

What is the IUPAC name of (3R)-3-methyl-N-[(1R)-1-naphthalen-1-ylethyl]-2-oxo-1,3-dihydroindole-5-sulfonamide?
The IUPAC name of (3R)-3-methyl-N-[(1R)-1-naphthalen-1-ylethyl]-2-oxo-1,3-dihydroindole-5-sulfonamide (CID 9188900) is (3R)-3-methyl-N-[(1R)-1-naphthalen-1-ylethyl]-2-oxo-1,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for (3R)-3-methyl-N-[(1R)-1-naphthalen-1-ylethyl]-2-oxo-1,3-dihydroindole-5-sulfonamide?
The canonical SMILES for (3R)-3-methyl-N-[(1R)-1-naphthalen-1-ylethyl]-2-oxo-1,3-dihydroindole-5-sulfonamide is C[C@@H](NS(=O)(=O)c1ccc2c(c1)[C@@H](C)C(=O)N2)c1cccc2ccccc12.
What is the InChIKey of (3R)-3-methyl-N-[(1R)-1-naphthalen-1-ylethyl]-2-oxo-1,3-dihydroindole-5-sulfonamide?
The InChIKey is LJAAPDBFKAUWCQ-ZIAGYGMSSA-N. The full InChI is InChI=1S/C21H20N2O3S/c1-13-19-12-16(10-11-20(19)22-21(13)24)27(25,26)23-14(2)17-9-5-7-15-6-3-4-8-18(15)17/h3-14,23H,1-2H3,(H,22,24)/t13-,14-/m1/s1.
What are the key properties of (3R)-3-methyl-N-[(1R)-1-naphthalen-1-ylethyl]-2-oxo-1,3-dihydroindole-5-sulfonamide?
(3R)-3-methyl-N-[(1R)-1-naphthalen-1-ylethyl]-2-oxo-1,3-dihydroindole-5-sulfonamide has a molecular weight of 380.47 g/mol, XLogP of 3.93, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-methyl-N-[(1R)-1-naphthalen-1-ylethyl]-2-oxo-1,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 9188900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).