N-[(2S)-2-(dimethylamino)-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-1-phenylmethanesulfonamide

C20H27N3O2S — CID 51444985

IUPACN-[(2S)-2-(dimethylamino)-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-1-phenylmethanesulfonamide
SMILESCN1CCc2cc([C@@H](CNS(=O)(=O)Cc3ccccc3)N(C)C)ccc21
InChIInChI=1S/C20H27N3O2S/c1-22(2)20(17-9-10-19-18(13-17)11-12-23(19)3)14-21-26(24,25)15-16-7-5-4-6-8-16/h4-10,13,20-21H,11-12,14-15H2,1-3H3/t20-/m1/s1
InChIKeyGWSSKBNNJOEVQU-HXUWFJFHSA-N
MW373.52 g/mol
LogP2.40
Rot. Bonds7

About N-[(2S)-2-(dimethylamino)-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-1-phenylmethanesulfonamide

N-[(2S)-2-(dimethylamino)-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-1-phenylmethanesulfonamide (PubChem CID 51444985) has the molecular formula C20H27N3O2S and a molecular weight of 373.52 g/mol. Its IUPAC name is N-[(2S)-2-(dimethylamino)-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-1-phenylmethanesulfonamide.

Molecular Properties

Compound NameN-[(2S)-2-(dimethylamino)-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-1-phenylmethanesulfonamide
PubChem CID51444985
Molecular FormulaC20H27N3O2S
Molecular Weight373.52 g/mol
Exact Mass373.18
IUPAC NameN-[(2S)-2-(dimethylamino)-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-1-phenylmethanesulfonamide
SMILESCN1CCc2cc([C@@H](CNS(=O)(=O)Cc3ccccc3)N(C)C)ccc21
InChIInChI=1S/C20H27N3O2S/c1-22(2)20(17-9-10-19-18(13-17)11-12-23(19)3)14-21-26(24,25)15-16-7-5-4-6-8-16/h4-10,13,20-21H,11-12,14-15H2,1-3H3/t20-/m1/s1
InChIKeyGWSSKBNNJOEVQU-HXUWFJFHSA-N
XLogP2.40
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.52
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

4-chloro-N-[(2S)-2-(dimethylamino)-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]benzenesulfonamide
CID 40828857
N-[(2S)-2-(dimethylamino)-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 40828862
N-[2-(4-chlorophenyl)-2-(dimethylamino)ethyl]-1-phenylmethanesulfonamide
CID 112503744
N-[2-(dimethylamino)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]naphthalene-1-sulfonamide
CID 16907075
N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-1-phenylmethanesulfonamide
CID 51249056
1-(4-fluorophenyl)-N-[(2S)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-pyrrolidin-1-ylethyl]methanesulfonamide
CID 40828955
N-[2-(dimethylamino)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]-5-methylthiophene-2-sulfonamide
CID 16907069
N-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-3-phenylpropanamide
CID 90582153
N-[(2S)-2-(dimethylamino)-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-N'-(2-fluorophenyl)oxamide
CID 40890402
5-bromo-N-[(2R)-2-(dimethylamino)-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]furan-2-carboxamide
CID 40890080
N'-[(2R)-2-(dimethylamino)-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-N-[(4-fluorophenyl)methyl]oxamide
CID 40890360
N-[(2R)-2-(dimethylamino)-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-N'-(2-methoxyphenyl)oxamide
CID 40890480

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(dimethylamino)-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-1-phenylmethanesulfonamide?
The IUPAC name of N-[(2S)-2-(dimethylamino)-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-1-phenylmethanesulfonamide (CID 51444985) is N-[(2S)-2-(dimethylamino)-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-1-phenylmethanesulfonamide.
What is the SMILES notation for N-[(2S)-2-(dimethylamino)-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-1-phenylmethanesulfonamide?
The canonical SMILES for N-[(2S)-2-(dimethylamino)-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-1-phenylmethanesulfonamide is CN1CCc2cc([C@@H](CNS(=O)(=O)Cc3ccccc3)N(C)C)ccc21.
What is the InChIKey of N-[(2S)-2-(dimethylamino)-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-1-phenylmethanesulfonamide?
The InChIKey is GWSSKBNNJOEVQU-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H27N3O2S/c1-22(2)20(17-9-10-19-18(13-17)11-12-23(19)3)14-21-26(24,25)15-16-7-5-4-6-8-16/h4-10,13,20-21H,11-12,14-15H2,1-3H3/t20-/m1/s1.
What are the key properties of N-[(2S)-2-(dimethylamino)-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-1-phenylmethanesulfonamide?
N-[(2S)-2-(dimethylamino)-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-1-phenylmethanesulfonamide has a molecular weight of 373.52 g/mol, XLogP of 2.40, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(dimethylamino)-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-1-phenylmethanesulfonamide is sourced from PubChem (CID 51444985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).