[4-[4-[5-(dimethylsulfamoyl)-2,3-dihydroindole-1-carbonyl]phenyl]phenyl] acetate

C25H24N2O5S — CID 52527565

IUPAC[4-[4-[5-(dimethylsulfamoyl)-2,3-dihydroindole-1-carbonyl]phenyl]phenyl] acetate
SMILESCC(=O)Oc1ccc(-c2ccc(C(=O)N3CCc4cc(S(=O)(=O)N(C)C)ccc43)cc2)cc1
InChIInChI=1S/C25H24N2O5S/c1-17(28)32-22-10-8-19(9-11-22)18-4-6-20(7-5-18)25(29)27-15-14-21-16-23(12-13-24(21)27)33(30,31)26(2)3/h4-13,16H,14-15H2,1-3H3
InChIKeyXPHNRZJXENNGDE-UHFFFAOYSA-N
MW464.54 g/mol
LogP3.73
Rot. Bonds5

About [4-[4-[5-(dimethylsulfamoyl)-2,3-dihydroindole-1-carbonyl]phenyl]phenyl] acetate

[4-[4-[5-(dimethylsulfamoyl)-2,3-dihydroindole-1-carbonyl]phenyl]phenyl] acetate (PubChem CID 52527565) has the molecular formula C25H24N2O5S and a molecular weight of 464.54 g/mol. Its IUPAC name is [4-[4-[5-(dimethylsulfamoyl)-2,3-dihydroindole-1-carbonyl]phenyl]phenyl] acetate.

Molecular Properties

Compound Name[4-[4-[5-(dimethylsulfamoyl)-2,3-dihydroindole-1-carbonyl]phenyl]phenyl] acetate
PubChem CID52527565
Molecular FormulaC25H24N2O5S
Molecular Weight464.54 g/mol
Exact Mass464.14
IUPAC Name[4-[4-[5-(dimethylsulfamoyl)-2,3-dihydroindole-1-carbonyl]phenyl]phenyl] acetate
SMILESCC(=O)Oc1ccc(-c2ccc(C(=O)N3CCc4cc(S(=O)(=O)N(C)C)ccc43)cc2)cc1
InChIInChI=1S/C25H24N2O5S/c1-17(28)32-22-10-8-19(9-11-22)18-4-6-20(7-5-18)25(29)27-15-14-21-16-23(12-13-24(21)27)33(30,31)26(2)3/h4-13,16H,14-15H2,1-3H3
InChIKeyXPHNRZJXENNGDE-UHFFFAOYSA-N
XLogP3.73
TPSA83.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.54
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N,N-dimethyl-4-(5-morpholin-4-ylsulfonyl-2,3-dihydroindole-1-carbonyl)benzenesulfonamide
CID 19258985
N,N-diethyl-1-(4-methoxybenzoyl)-2,3-dihydroindole-5-sulfonamide
CID 46636161
[4-(2,3-dihydroindole-1-carbonyl)phenyl] acetate
CID 578309
1-[4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)benzoyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide
CID 38107052
N-cyclopentyl-1-[4-(dimethylsulfamoyl)benzoyl]-2,3-dihydroindole-5-sulfonamide
CID 19164501
N,N-dimethyl-1-[4-(morpholin-4-ylsulfonylmethyl)benzoyl]-2,3-dihydroindole-5-sulfonamide
CID 92646503
N,N-dimethyl-1-(1-methylpiperidine-4-carbonyl)-2,3-dihydroindole-5-sulfonamide
CID 50875375
1-[4-(diethylamino)benzoyl]-N,N-diethyl-2,3-dihydroindole-5-sulfonamide
CID 112800385
1-[2-(4-chloro-3-methylphenoxy)propanoyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide
CID 132667023
N,N-diethyl-1-(4-propan-2-ylbenzoyl)-2,3-dihydroindole-5-sulfonamide
CID 26764981
N,N-diethyl-1-[4-(ethylsulfanylmethyl)benzoyl]-2,3-dihydroindole-5-sulfonamide
CID 52696465
1-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide
CID 26769517

Frequently Asked Questions

What is the IUPAC name of [4-[4-[5-(dimethylsulfamoyl)-2,3-dihydroindole-1-carbonyl]phenyl]phenyl] acetate?
The IUPAC name of [4-[4-[5-(dimethylsulfamoyl)-2,3-dihydroindole-1-carbonyl]phenyl]phenyl] acetate (CID 52527565) is [4-[4-[5-(dimethylsulfamoyl)-2,3-dihydroindole-1-carbonyl]phenyl]phenyl] acetate.
What is the SMILES notation for [4-[4-[5-(dimethylsulfamoyl)-2,3-dihydroindole-1-carbonyl]phenyl]phenyl] acetate?
The canonical SMILES for [4-[4-[5-(dimethylsulfamoyl)-2,3-dihydroindole-1-carbonyl]phenyl]phenyl] acetate is CC(=O)Oc1ccc(-c2ccc(C(=O)N3CCc4cc(S(=O)(=O)N(C)C)ccc43)cc2)cc1.
What is the InChIKey of [4-[4-[5-(dimethylsulfamoyl)-2,3-dihydroindole-1-carbonyl]phenyl]phenyl] acetate?
The InChIKey is XPHNRZJXENNGDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O5S/c1-17(28)32-22-10-8-19(9-11-22)18-4-6-20(7-5-18)25(29)27-15-14-21-16-23(12-13-24(21)27)33(30,31)26(2)3/h4-13,16H,14-15H2,1-3H3.
What are the key properties of [4-[4-[5-(dimethylsulfamoyl)-2,3-dihydroindole-1-carbonyl]phenyl]phenyl] acetate?
[4-[4-[5-(dimethylsulfamoyl)-2,3-dihydroindole-1-carbonyl]phenyl]phenyl] acetate has a molecular weight of 464.54 g/mol, XLogP of 3.73, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-[5-(dimethylsulfamoyl)-2,3-dihydroindole-1-carbonyl]phenyl]phenyl] acetate is sourced from PubChem (CID 52527565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).