(2R)-2-methyl-N-[2-(3-methylphenoxy)ethyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide

C20H24N2O4S — CID 9224172

IUPAC(2R)-2-methyl-N-[2-(3-methylphenoxy)ethyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
SMILESCc1cccc(OCCNC(=O)c2ccc3c(c2)C[C@@H](C)N3S(C)(=O)=O)c1
InChIInChI=1S/C20H24N2O4S/c1-14-5-4-6-18(11-14)26-10-9-21-20(23)16-7-8-19-17(13-16)12-15(2)22(19)27(3,24)25/h4-8,11,13,15H,9-10,12H2,1-3H3,(H,21,23)/t15-/m1/s1
InChIKeyDJYSLZDFPZGLDI-OAHLLOKOSA-N
MW388.49 g/mol
LogP2.51
Rot. Bonds6

About (2R)-2-methyl-N-[2-(3-methylphenoxy)ethyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide

(2R)-2-methyl-N-[2-(3-methylphenoxy)ethyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide (PubChem CID 9224172) has the molecular formula C20H24N2O4S and a molecular weight of 388.49 g/mol. Its IUPAC name is (2R)-2-methyl-N-[2-(3-methylphenoxy)ethyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide.

Molecular Properties

Compound Name(2R)-2-methyl-N-[2-(3-methylphenoxy)ethyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
PubChem CID9224172
Molecular FormulaC20H24N2O4S
Molecular Weight388.49 g/mol
Exact Mass388.15
IUPAC Name(2R)-2-methyl-N-[2-(3-methylphenoxy)ethyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
SMILESCc1cccc(OCCNC(=O)c2ccc3c(c2)C[C@@H](C)N3S(C)(=O)=O)c1
InChIInChI=1S/C20H24N2O4S/c1-14-5-4-6-18(11-14)26-10-9-21-20(23)16-7-8-19-17(13-16)12-15(2)22(19)27(3,24)25/h4-8,11,13,15H,9-10,12H2,1-3H3,(H,21,23)/t15-/m1/s1
InChIKeyDJYSLZDFPZGLDI-OAHLLOKOSA-N
XLogP2.51
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2R)-N-(2-methoxyethyl)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 41452572
(2S)-N-(3-methoxypropyl)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 41452577
(2S)-2-methyl-1-methylsulfonyl-N-(2-phenylsulfanylethyl)-2,3-dihydroindole-5-carboxamide
CID 9483091
2-methyl-1-methylsulfonyl-N-(3-phenylmethoxypropyl)-2,3-dihydroindole-5-carboxamide
CID 46565283
2-methyl-1-methylsulfonyl-N-[3-(2,2,2-trifluoroethoxy)propyl]-2,3-dihydroindole-5-carboxamide
CID 86929033
2-methyl-1-methylsulfonyl-N-[[3-(phenoxymethyl)phenyl]methyl]-2,3-dihydroindole-5-carboxamide
CID 55903871
N-hexyl-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 46515794
(2R)-N-cyclopropyl-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 9210140
(2S)-N-[2-(4-hydroxyphenyl)ethyl]-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 94565333
N,2-dimethyl-1-methylsulfonyl-N-(2-phenoxyethyl)-2,3-dihydroindole-5-carboxamide
CID 51219316
N-[2-(3-methylphenoxy)ethyl]-3-(methylsulfonylmethyl)benzamide
CID 27859309
(2S)-N-[2-(4-chlorophenyl)ethyl]-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 9211019

Frequently Asked Questions

What is the IUPAC name of (2R)-2-methyl-N-[2-(3-methylphenoxy)ethyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide?
The IUPAC name of (2R)-2-methyl-N-[2-(3-methylphenoxy)ethyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide (CID 9224172) is (2R)-2-methyl-N-[2-(3-methylphenoxy)ethyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide.
What is the SMILES notation for (2R)-2-methyl-N-[2-(3-methylphenoxy)ethyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide?
The canonical SMILES for (2R)-2-methyl-N-[2-(3-methylphenoxy)ethyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide is Cc1cccc(OCCNC(=O)c2ccc3c(c2)C[C@@H](C)N3S(C)(=O)=O)c1.
What is the InChIKey of (2R)-2-methyl-N-[2-(3-methylphenoxy)ethyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide?
The InChIKey is DJYSLZDFPZGLDI-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H24N2O4S/c1-14-5-4-6-18(11-14)26-10-9-21-20(23)16-7-8-19-17(13-16)12-15(2)22(19)27(3,24)25/h4-8,11,13,15H,9-10,12H2,1-3H3,(H,21,23)/t15-/m1/s1.
What are the key properties of (2R)-2-methyl-N-[2-(3-methylphenoxy)ethyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide?
(2R)-2-methyl-N-[2-(3-methylphenoxy)ethyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide has a molecular weight of 388.49 g/mol, XLogP of 2.51, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methyl-N-[2-(3-methylphenoxy)ethyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide is sourced from PubChem (CID 9224172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).