(3R)-N-[(2S)-2-(dimethylamino)-2-(4-methylphenyl)ethyl]-3-methyl-2-oxo-1,3-dihydroindole-5-sulfonamide

C20H25N3O3S — CID 9125333

IUPAC(3R)-N-[(2S)-2-(dimethylamino)-2-(4-methylphenyl)ethyl]-3-methyl-2-oxo-1,3-dihydroindole-5-sulfonamide
SMILESCc1ccc([C@@H](CNS(=O)(=O)c2ccc3c(c2)[C@@H](C)C(=O)N3)N(C)C)cc1
InChIInChI=1S/C20H25N3O3S/c1-13-5-7-15(8-6-13)19(23(3)4)12-21-27(25,26)16-9-10-18-17(11-16)14(2)20(24)22-18/h5-11,14,19,21H,12H2,1-4H3,(H,22,24)/t14-,19-/m1/s1
InChIKeyUIPZIZLEJQOBHK-AUUYWEPGSA-N
MW387.51 g/mol
LogP2.63
Rot. Bonds6

About (3R)-N-[(2S)-2-(dimethylamino)-2-(4-methylphenyl)ethyl]-3-methyl-2-oxo-1,3-dihydroindole-5-sulfonamide

(3R)-N-[(2S)-2-(dimethylamino)-2-(4-methylphenyl)ethyl]-3-methyl-2-oxo-1,3-dihydroindole-5-sulfonamide (PubChem CID 9125333) has the molecular formula C20H25N3O3S and a molecular weight of 387.51 g/mol. Its IUPAC name is (3R)-N-[(2S)-2-(dimethylamino)-2-(4-methylphenyl)ethyl]-3-methyl-2-oxo-1,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound Name(3R)-N-[(2S)-2-(dimethylamino)-2-(4-methylphenyl)ethyl]-3-methyl-2-oxo-1,3-dihydroindole-5-sulfonamide
PubChem CID9125333
Molecular FormulaC20H25N3O3S
Molecular Weight387.51 g/mol
Exact Mass387.16
IUPAC Name(3R)-N-[(2S)-2-(dimethylamino)-2-(4-methylphenyl)ethyl]-3-methyl-2-oxo-1,3-dihydroindole-5-sulfonamide
SMILESCc1ccc([C@@H](CNS(=O)(=O)c2ccc3c(c2)[C@@H](C)C(=O)N3)N(C)C)cc1
InChIInChI=1S/C20H25N3O3S/c1-13-5-7-15(8-6-13)19(23(3)4)12-21-27(25,26)16-9-10-18-17(11-16)14(2)20(24)22-18/h5-11,14,19,21H,12H2,1-4H3,(H,22,24)/t14-,19-/m1/s1
InChIKeyUIPZIZLEJQOBHK-AUUYWEPGSA-N
XLogP2.63
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.51
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (3R)-N-[(2S)-2-(dimethylamino)-2-(4-methylphenyl)ethyl]-3-methyl-2-oxo-1,3-dihydroindole-5-sulfonamide with MolForge

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Related Compounds

(3R)-3-methyl-N-[2-(4-methylphenoxy)ethyl]-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 9187706
2-hydroxy-3-[(3-methyl-2-oxo-1,3-dihydroindol-5-yl)sulfonylamino]propanoic acid
CID 66165853
N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-4-propan-2-ylbenzenesulfonamide
CID 45003216
(3R)-N-[(1R)-1-(4-bromophenyl)ethyl]-3-methyl-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 9188763
N-[(2R)-2-(dimethylamino)-2-phenylethyl]-4-methylbenzenesulfonamide
CID 975376
4-cyano-N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]benzenesulfonamide
CID 60602522
(3S)-N-[2-(3-chlorophenyl)ethyl]-3-methyl-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 9188688
(3R)-N-[(1R)-1-(3,4-difluorophenyl)ethyl]-3-methyl-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 9188790
(3R)-N-[(2-methoxyphenyl)methyl]-3-methyl-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 9186876
(3R)-3-methyl-N-(2-morpholin-4-ylethyl)-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 9186449
methyl (2R,3S)-3-methyl-2-[[(3S)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]sulfonylamino]pentanoate
CID 9188460
N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-4-methylbenzenesulfonamide
CID 47006075

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(2S)-2-(dimethylamino)-2-(4-methylphenyl)ethyl]-3-methyl-2-oxo-1,3-dihydroindole-5-sulfonamide?
The IUPAC name of (3R)-N-[(2S)-2-(dimethylamino)-2-(4-methylphenyl)ethyl]-3-methyl-2-oxo-1,3-dihydroindole-5-sulfonamide (CID 9125333) is (3R)-N-[(2S)-2-(dimethylamino)-2-(4-methylphenyl)ethyl]-3-methyl-2-oxo-1,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for (3R)-N-[(2S)-2-(dimethylamino)-2-(4-methylphenyl)ethyl]-3-methyl-2-oxo-1,3-dihydroindole-5-sulfonamide?
The canonical SMILES for (3R)-N-[(2S)-2-(dimethylamino)-2-(4-methylphenyl)ethyl]-3-methyl-2-oxo-1,3-dihydroindole-5-sulfonamide is Cc1ccc([C@@H](CNS(=O)(=O)c2ccc3c(c2)[C@@H](C)C(=O)N3)N(C)C)cc1.
What is the InChIKey of (3R)-N-[(2S)-2-(dimethylamino)-2-(4-methylphenyl)ethyl]-3-methyl-2-oxo-1,3-dihydroindole-5-sulfonamide?
The InChIKey is UIPZIZLEJQOBHK-AUUYWEPGSA-N. The full InChI is InChI=1S/C20H25N3O3S/c1-13-5-7-15(8-6-13)19(23(3)4)12-21-27(25,26)16-9-10-18-17(11-16)14(2)20(24)22-18/h5-11,14,19,21H,12H2,1-4H3,(H,22,24)/t14-,19-/m1/s1.
What are the key properties of (3R)-N-[(2S)-2-(dimethylamino)-2-(4-methylphenyl)ethyl]-3-methyl-2-oxo-1,3-dihydroindole-5-sulfonamide?
(3R)-N-[(2S)-2-(dimethylamino)-2-(4-methylphenyl)ethyl]-3-methyl-2-oxo-1,3-dihydroindole-5-sulfonamide has a molecular weight of 387.51 g/mol, XLogP of 2.63, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(2S)-2-(dimethylamino)-2-(4-methylphenyl)ethyl]-3-methyl-2-oxo-1,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 9125333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).