2-[[2-methoxy-4-(4-phenyl-2,3-dihydroindole-1-carbonyl)phenyl]methylamino]ethanesulfonamide

C25H27N3O4S — CID 175168661

IUPAC2-[[2-methoxy-4-(4-phenyl-2,3-dihydroindole-1-carbonyl)phenyl]methylamino]ethanesulfonamide
SMILESCOc1cc(C(=O)N2CCc3c(-c4ccccc4)cccc32)ccc1CNCCS(N)(=O)=O
InChIInChI=1S/C25H27N3O4S/c1-32-24-16-19(10-11-20(24)17-27-13-15-33(26,30)31)25(29)28-14-12-22-21(8-5-9-23(22)28)18-6-3-2-4-7-18/h2-11,16,27H,12-15,17H2,1H3,(H2,26,30,31)
InChIKeyAITRLBRLEFCZKY-UHFFFAOYSA-N
MW465.58 g/mol
LogP2.94
Rot. Bonds8

About 2-[[2-methoxy-4-(4-phenyl-2,3-dihydroindole-1-carbonyl)phenyl]methylamino]ethanesulfonamide

2-[[2-methoxy-4-(4-phenyl-2,3-dihydroindole-1-carbonyl)phenyl]methylamino]ethanesulfonamide (PubChem CID 175168661) has the molecular formula C25H27N3O4S and a molecular weight of 465.58 g/mol. Its IUPAC name is 2-[[2-methoxy-4-(4-phenyl-2,3-dihydroindole-1-carbonyl)phenyl]methylamino]ethanesulfonamide.

Molecular Properties

Compound Name2-[[2-methoxy-4-(4-phenyl-2,3-dihydroindole-1-carbonyl)phenyl]methylamino]ethanesulfonamide
PubChem CID175168661
Molecular FormulaC25H27N3O4S
Molecular Weight465.58 g/mol
Exact Mass465.17
IUPAC Name2-[[2-methoxy-4-(4-phenyl-2,3-dihydroindole-1-carbonyl)phenyl]methylamino]ethanesulfonamide
SMILESCOc1cc(C(=O)N2CCc3c(-c4ccccc4)cccc32)ccc1CNCCS(N)(=O)=O
InChIInChI=1S/C25H27N3O4S/c1-32-24-16-19(10-11-20(24)17-27-13-15-33(26,30)31)25(29)28-14-12-22-21(8-5-9-23(22)28)18-6-3-2-4-7-18/h2-11,16,27H,12-15,17H2,1H3,(H2,26,30,31)
InChIKeyAITRLBRLEFCZKY-UHFFFAOYSA-N
XLogP2.94
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.58
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-dihydroindol-1-yl]-[4-[(2-hydroxyethylamino)methyl]-3-methoxyphenyl]methanone
CID 162674486
N-[2-[[2-methyl-4-(4-phenyl-2,3-dihydroindole-1-carbonyl)phenyl]methylamino]ethyl]acetamide
CID 162676079
[2-methoxy-4-(4-phenyl-2,3-dihydroindole-1-carbonyl)phenyl]methyl (2S)-pyrrolidine-2-carboxylate
CID 175362652
N-[2-[[2-(4-phenyl-2,3-dihydroindole-1-carbonyl)-1,3-thiazol-5-yl]methylamino]ethyl]methanesulfonamide
CID 164625393
N-[(2,4-dimethoxyphenyl)methyl]-1-(4-fluorobenzoyl)-2,3-dihydroindole-4-carboxamide
CID 53160054
2-(1-benzoyl-2,3-dihydroindol-4-yl)-N-methylsulfonylacetamide
CID 58765450
(3-bromo-4-methoxyphenyl)-(2,3-dihydroindol-1-yl)methanone
CID 675985
[5-(hydroxymethyl)-1,3-thiazol-2-yl]-(4-phenyl-2,3-dihydroindol-1-yl)methanone
CID 168875760
3,4-dihydro-2H-quinolin-1-yl-(3-methoxy-4-methylphenyl)methanone
CID 51229053
1-(4-methoxy-3-phenylbenzoyl)piperidine-4-carboxamide
CID 49316648
N-benzyl-5-(2,3-dihydroindole-1-carbonyl)-2-methoxy-N-methylbenzenesulfonamide
CID 26290496
2,3-dihydro-1,4-benzothiazin-4-yl-(3,4-dimethoxyphenyl)methanone
CID 51155293

Frequently Asked Questions

What is the IUPAC name of 2-[[2-methoxy-4-(4-phenyl-2,3-dihydroindole-1-carbonyl)phenyl]methylamino]ethanesulfonamide?
The IUPAC name of 2-[[2-methoxy-4-(4-phenyl-2,3-dihydroindole-1-carbonyl)phenyl]methylamino]ethanesulfonamide (CID 175168661) is 2-[[2-methoxy-4-(4-phenyl-2,3-dihydroindole-1-carbonyl)phenyl]methylamino]ethanesulfonamide.
What is the SMILES notation for 2-[[2-methoxy-4-(4-phenyl-2,3-dihydroindole-1-carbonyl)phenyl]methylamino]ethanesulfonamide?
The canonical SMILES for 2-[[2-methoxy-4-(4-phenyl-2,3-dihydroindole-1-carbonyl)phenyl]methylamino]ethanesulfonamide is COc1cc(C(=O)N2CCc3c(-c4ccccc4)cccc32)ccc1CNCCS(N)(=O)=O.
What is the InChIKey of 2-[[2-methoxy-4-(4-phenyl-2,3-dihydroindole-1-carbonyl)phenyl]methylamino]ethanesulfonamide?
The InChIKey is AITRLBRLEFCZKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O4S/c1-32-24-16-19(10-11-20(24)17-27-13-15-33(26,30)31)25(29)28-14-12-22-21(8-5-9-23(22)28)18-6-3-2-4-7-18/h2-11,16,27H,12-15,17H2,1H3,(H2,26,30,31).
What are the key properties of 2-[[2-methoxy-4-(4-phenyl-2,3-dihydroindole-1-carbonyl)phenyl]methylamino]ethanesulfonamide?
2-[[2-methoxy-4-(4-phenyl-2,3-dihydroindole-1-carbonyl)phenyl]methylamino]ethanesulfonamide has a molecular weight of 465.58 g/mol, XLogP of 2.94, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-methoxy-4-(4-phenyl-2,3-dihydroindole-1-carbonyl)phenyl]methylamino]ethanesulfonamide is sourced from PubChem (CID 175168661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).