2,5-dimethyl-N-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-N-(2-phenylethyl)benzenesulfonamide

C27H30N2O3S — CID 133255066

IUPAC2,5-dimethyl-N-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-N-(2-phenylethyl)benzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)N(CCc2ccccc2)CC(=O)N2c3ccccc3CC2C)c1
InChIInChI=1S/C27H30N2O3S/c1-20-13-14-21(2)26(17-20)33(31,32)28(16-15-23-9-5-4-6-10-23)19-27(30)29-22(3)18-24-11-7-8-12-25(24)29/h4-14,17,22H,15-16,18-19H2,1-3H3
InChIKeyFABOBROYTFCDOM-UHFFFAOYSA-N
MW462.62 g/mol
LogP4.51
Rot. Bonds7

About 2,5-dimethyl-N-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-N-(2-phenylethyl)benzenesulfonamide

2,5-dimethyl-N-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-N-(2-phenylethyl)benzenesulfonamide (PubChem CID 133255066) has the molecular formula C27H30N2O3S and a molecular weight of 462.62 g/mol. Its IUPAC name is 2,5-dimethyl-N-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-N-(2-phenylethyl)benzenesulfonamide.

Molecular Properties

Compound Name2,5-dimethyl-N-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-N-(2-phenylethyl)benzenesulfonamide
PubChem CID133255066
Molecular FormulaC27H30N2O3S
Molecular Weight462.62 g/mol
Exact Mass462.20
IUPAC Name2,5-dimethyl-N-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-N-(2-phenylethyl)benzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)N(CCc2ccccc2)CC(=O)N2c3ccccc3CC2C)c1
InChIInChI=1S/C27H30N2O3S/c1-20-13-14-21(2)26(17-20)33(31,32)28(16-15-23-9-5-4-6-10-23)19-27(30)29-22(3)18-24-11-7-8-12-25(24)29/h4-14,17,22H,15-16,18-19H2,1-3H3
InChIKeyFABOBROYTFCDOM-UHFFFAOYSA-N
XLogP4.51
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.62
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2,5-dimethyl-N-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-N-(2-phenylethyl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-[(2S)-5-bromo-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-4-methyl-N-(2-phenylethyl)benzenesulfonamide
CID 100789986
N-[2-(5-bromo-2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-4-methyl-N-(2-phenylethyl)benzenesulfonamide
CID 133179670
3,4-dimethoxy-N-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-N-(2-phenylethyl)benzenesulfonamide
CID 133179743
N-benzyl-2,4,6-trimethyl-N-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]benzenesulfonamide
CID 125062751
N-benzyl-4-methyl-N-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]benzenesulfonamide
CID 2545359
2,5-dimethyl-N-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]benzenesulfonamide
CID 113001141
N-benzyl-2,5-dichloro-N-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]benzenesulfonamide
CID 100791662
4-methyl-N-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-N-[(4-methylphenyl)methyl]benzenesulfonamide
CID 125063411
N-benzyl-4-[2-[(2,5-dimethylphenyl)sulfonyl-(2-phenylethyl)amino]acetyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 133255069
2-methoxy-5-methyl-N-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-N-phenylbenzenesulfonamide
CID 100795964
N-[2-(5-bromo-2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-4-chloro-N-(2-phenylethyl)benzenesulfonamide
CID 133179694
2-[(2,5-dimethylphenyl)sulfonyl-(2-phenylethyl)amino]-N-ethylacetamide
CID 100782288

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-N-(2-phenylethyl)benzenesulfonamide?
The IUPAC name of 2,5-dimethyl-N-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-N-(2-phenylethyl)benzenesulfonamide (CID 133255066) is 2,5-dimethyl-N-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-N-(2-phenylethyl)benzenesulfonamide.
What is the SMILES notation for 2,5-dimethyl-N-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-N-(2-phenylethyl)benzenesulfonamide?
The canonical SMILES for 2,5-dimethyl-N-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-N-(2-phenylethyl)benzenesulfonamide is Cc1ccc(C)c(S(=O)(=O)N(CCc2ccccc2)CC(=O)N2c3ccccc3CC2C)c1.
What is the InChIKey of 2,5-dimethyl-N-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-N-(2-phenylethyl)benzenesulfonamide?
The InChIKey is FABOBROYTFCDOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N2O3S/c1-20-13-14-21(2)26(17-20)33(31,32)28(16-15-23-9-5-4-6-10-23)19-27(30)29-22(3)18-24-11-7-8-12-25(24)29/h4-14,17,22H,15-16,18-19H2,1-3H3.
What are the key properties of 2,5-dimethyl-N-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-N-(2-phenylethyl)benzenesulfonamide?
2,5-dimethyl-N-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-N-(2-phenylethyl)benzenesulfonamide has a molecular weight of 462.62 g/mol, XLogP of 4.51, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-N-(2-phenylethyl)benzenesulfonamide is sourced from PubChem (CID 133255066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).