4-methyl-N-[(R)-(3-methyl-2-oxo-1H-indol-3-yl)-(4-propan-2-ylphenyl)methyl]benzenesulfonamide

C26H28N2O3S — CID 139247464

IUPAC4-methyl-N-[(R)-(3-methyl-2-oxo-1H-indol-3-yl)-(4-propan-2-ylphenyl)methyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N[C@H](c2ccc(C(C)C)cc2)C2(C)C(=O)Nc3ccccc32)cc1
InChIInChI=1S/C26H28N2O3S/c1-17(2)19-11-13-20(14-12-19)24(28-32(30,31)21-15-9-18(3)10-16-21)26(4)22-7-5-6-8-23(22)27-25(26)29/h5-17,24,28H,1-4H3,(H,27,29)/t24-,26?/m1/s1
InChIKeyJLPCGMOSDOIKPU-RMVMEJTISA-N
MW448.59 g/mol
LogP5.05
Rot. Bonds6

About 4-methyl-N-[(R)-(3-methyl-2-oxo-1H-indol-3-yl)-(4-propan-2-ylphenyl)methyl]benzenesulfonamide

4-methyl-N-[(R)-(3-methyl-2-oxo-1H-indol-3-yl)-(4-propan-2-ylphenyl)methyl]benzenesulfonamide (PubChem CID 139247464) has the molecular formula C26H28N2O3S and a molecular weight of 448.59 g/mol. Its IUPAC name is 4-methyl-N-[(R)-(3-methyl-2-oxo-1H-indol-3-yl)-(4-propan-2-ylphenyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[(R)-(3-methyl-2-oxo-1H-indol-3-yl)-(4-propan-2-ylphenyl)methyl]benzenesulfonamide
PubChem CID139247464
Molecular FormulaC26H28N2O3S
Molecular Weight448.59 g/mol
Exact Mass448.18
IUPAC Name4-methyl-N-[(R)-(3-methyl-2-oxo-1H-indol-3-yl)-(4-propan-2-ylphenyl)methyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N[C@H](c2ccc(C(C)C)cc2)C2(C)C(=O)Nc3ccccc32)cc1
InChIInChI=1S/C26H28N2O3S/c1-17(2)19-11-13-20(14-12-19)24(28-32(30,31)21-15-9-18(3)10-16-21)26(4)22-7-5-6-8-23(22)27-25(26)29/h5-17,24,28H,1-4H3,(H,27,29)/t24-,26?/m1/s1
InChIKeyJLPCGMOSDOIKPU-RMVMEJTISA-N
XLogP5.05
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.59
LogP ≤ 55.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-methyl-N-[(R)-(3-methyl-2-oxo-1H-indol-3-yl)-(4-propan-2-ylphenyl)methyl]benzenesulfonamide with MolForge

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Related Compounds

N-[(S)-(2-chlorophenyl)-[(3R)-3-methyl-2-oxo-1H-indol-3-yl]methyl]-4-methylbenzenesulfonamide
CID 122372213
4-methyl-N-[naphthalen-2-yl-[(4R)-5-oxo-2-phenyl-4-propan-2-yl-1,3-oxazol-4-yl]methyl]benzenesulfonamide
CID 102173782
1-methyl-4-(4-propan-2-ylphenyl)sulfonylbenzene
CID 12648459
4-methyl-N-[(4-methylphenyl)-(4-phenylphenyl)methyl]benzenesulfonamide
CID 134927453
4-methyl-N-[(R)-(4-methylphenyl)-(4-phenylphenyl)methyl]benzenesulfonamide
CID 102072204
N-[(S)-(4-bromophenyl)-[(4R)-5-oxo-2-phenyl-4-propan-2-yl-1,3-oxazol-4-yl]methyl]-4-methylbenzenesulfonamide
CID 139037997
3-methyl-3-[(4-methylphenyl)methyl]-1H-indol-2-one
CID 126469346
N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-4-propan-2-ylbenzenesulfonamide
CID 45003216
N-[(4-chlorophenyl)-(4-methylphenyl)sulfonylmethyl]-4-methylbenzenesulfonamide
CID 16743563
N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-4-methylbenzenesulfonamide
CID 11162537
4-methyl-N-[(1R,2R)-2-methyl-1-(4-methylphenyl)but-3-enyl]benzenesulfonamide
CID 100938085
N-tert-butyl-4-(3-methyl-2-oxo-1H-indol-3-yl)benzenesulfonamide
CID 178047977

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(R)-(3-methyl-2-oxo-1H-indol-3-yl)-(4-propan-2-ylphenyl)methyl]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[(R)-(3-methyl-2-oxo-1H-indol-3-yl)-(4-propan-2-ylphenyl)methyl]benzenesulfonamide (CID 139247464) is 4-methyl-N-[(R)-(3-methyl-2-oxo-1H-indol-3-yl)-(4-propan-2-ylphenyl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[(R)-(3-methyl-2-oxo-1H-indol-3-yl)-(4-propan-2-ylphenyl)methyl]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[(R)-(3-methyl-2-oxo-1H-indol-3-yl)-(4-propan-2-ylphenyl)methyl]benzenesulfonamide is Cc1ccc(S(=O)(=O)N[C@H](c2ccc(C(C)C)cc2)C2(C)C(=O)Nc3ccccc32)cc1.
What is the InChIKey of 4-methyl-N-[(R)-(3-methyl-2-oxo-1H-indol-3-yl)-(4-propan-2-ylphenyl)methyl]benzenesulfonamide?
The InChIKey is JLPCGMOSDOIKPU-RMVMEJTISA-N. The full InChI is InChI=1S/C26H28N2O3S/c1-17(2)19-11-13-20(14-12-19)24(28-32(30,31)21-15-9-18(3)10-16-21)26(4)22-7-5-6-8-23(22)27-25(26)29/h5-17,24,28H,1-4H3,(H,27,29)/t24-,26?/m1/s1.
What are the key properties of 4-methyl-N-[(R)-(3-methyl-2-oxo-1H-indol-3-yl)-(4-propan-2-ylphenyl)methyl]benzenesulfonamide?
4-methyl-N-[(R)-(3-methyl-2-oxo-1H-indol-3-yl)-(4-propan-2-ylphenyl)methyl]benzenesulfonamide has a molecular weight of 448.59 g/mol, XLogP of 5.05, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(R)-(3-methyl-2-oxo-1H-indol-3-yl)-(4-propan-2-ylphenyl)methyl]benzenesulfonamide is sourced from PubChem (CID 139247464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).