N-[[4-(2-methyl-2,3-dihydroindole-1-carbonyl)phenyl]methyl]-N-prop-2-enylbenzenesulfonamide

C26H26N2O3S — CID 132673892

IUPACN-[[4-(2-methyl-2,3-dihydroindole-1-carbonyl)phenyl]methyl]-N-prop-2-enylbenzenesulfonamide
SMILESC=CCN(Cc1ccc(C(=O)N2c3ccccc3CC2C)cc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C26H26N2O3S/c1-3-17-27(32(30,31)24-10-5-4-6-11-24)19-21-13-15-22(16-14-21)26(29)28-20(2)18-23-9-7-8-12-25(23)28/h3-16,20H,1,17-19H2,2H3
InChIKeyNREQCIBICUJGCI-UHFFFAOYSA-N
MW446.57 g/mol
LogP4.65
Rot. Bonds7

About N-[[4-(2-methyl-2,3-dihydroindole-1-carbonyl)phenyl]methyl]-N-prop-2-enylbenzenesulfonamide

N-[[4-(2-methyl-2,3-dihydroindole-1-carbonyl)phenyl]methyl]-N-prop-2-enylbenzenesulfonamide (PubChem CID 132673892) has the molecular formula C26H26N2O3S and a molecular weight of 446.57 g/mol. Its IUPAC name is N-[[4-(2-methyl-2,3-dihydroindole-1-carbonyl)phenyl]methyl]-N-prop-2-enylbenzenesulfonamide.

Molecular Properties

Compound NameN-[[4-(2-methyl-2,3-dihydroindole-1-carbonyl)phenyl]methyl]-N-prop-2-enylbenzenesulfonamide
PubChem CID132673892
Molecular FormulaC26H26N2O3S
Molecular Weight446.57 g/mol
Exact Mass446.17
IUPAC NameN-[[4-(2-methyl-2,3-dihydroindole-1-carbonyl)phenyl]methyl]-N-prop-2-enylbenzenesulfonamide
SMILESC=CCN(Cc1ccc(C(=O)N2c3ccccc3CC2C)cc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C26H26N2O3S/c1-3-17-27(32(30,31)24-10-5-4-6-11-24)19-21-13-15-22(16-14-21)26(29)28-20(2)18-23-9-7-8-12-25(23)28/h3-16,20H,1,17-19H2,2H3
InChIKeyNREQCIBICUJGCI-UHFFFAOYSA-N
XLogP4.65
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.57
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[4-(benzenesulfonylmethyl)phenyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 55752569
N-[(4-fluorophenyl)methyl]-N-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]benzenesulfonamide
CID 100793142
[(2R)-2-methyl-2,3-dihydroindol-1-yl]-[4-(methylsulfonylmethyl)phenyl]methanone
CID 26910884
4-methyl-N-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-N-[(4-methylphenyl)methyl]benzenesulfonamide
CID 125063411
(2-methyl-2,3-dihydroindol-1-yl)-phenylmethanone
CID 15274130
N-benzyl-4-methyl-N-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]benzenesulfonamide
CID 2545359
4-chloro-N-[(4-chlorophenyl)methyl]-N-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]benzenesulfonamide
CID 133179803
4-bromo-N-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-N-[(4-methylphenyl)methyl]benzenesulfonamide
CID 133179910
N-benzyl-4-ethoxy-N-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]benzenesulfonamide
CID 125049208
4-bromo-N-[(4-chlorophenyl)methyl]-N-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]benzenesulfonamide
CID 100794102
(2S)-1-[4-(diethylsulfamoyl)benzoyl]-2,3-dihydroindole-2-carboxamide
CID 41428851
2-fluoro-5-(2-methyl-2,3-dihydroindole-1-carbonyl)-N-prop-2-enylbenzenesulfonamide
CID 134004891

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-methyl-2,3-dihydroindole-1-carbonyl)phenyl]methyl]-N-prop-2-enylbenzenesulfonamide?
The IUPAC name of N-[[4-(2-methyl-2,3-dihydroindole-1-carbonyl)phenyl]methyl]-N-prop-2-enylbenzenesulfonamide (CID 132673892) is N-[[4-(2-methyl-2,3-dihydroindole-1-carbonyl)phenyl]methyl]-N-prop-2-enylbenzenesulfonamide.
What is the SMILES notation for N-[[4-(2-methyl-2,3-dihydroindole-1-carbonyl)phenyl]methyl]-N-prop-2-enylbenzenesulfonamide?
The canonical SMILES for N-[[4-(2-methyl-2,3-dihydroindole-1-carbonyl)phenyl]methyl]-N-prop-2-enylbenzenesulfonamide is C=CCN(Cc1ccc(C(=O)N2c3ccccc3CC2C)cc1)S(=O)(=O)c1ccccc1.
What is the InChIKey of N-[[4-(2-methyl-2,3-dihydroindole-1-carbonyl)phenyl]methyl]-N-prop-2-enylbenzenesulfonamide?
The InChIKey is NREQCIBICUJGCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O3S/c1-3-17-27(32(30,31)24-10-5-4-6-11-24)19-21-13-15-22(16-14-21)26(29)28-20(2)18-23-9-7-8-12-25(23)28/h3-16,20H,1,17-19H2,2H3.
What are the key properties of N-[[4-(2-methyl-2,3-dihydroindole-1-carbonyl)phenyl]methyl]-N-prop-2-enylbenzenesulfonamide?
N-[[4-(2-methyl-2,3-dihydroindole-1-carbonyl)phenyl]methyl]-N-prop-2-enylbenzenesulfonamide has a molecular weight of 446.57 g/mol, XLogP of 4.65, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-methyl-2,3-dihydroindole-1-carbonyl)phenyl]methyl]-N-prop-2-enylbenzenesulfonamide is sourced from PubChem (CID 132673892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).