4-[[[(2R)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl]amino]methyl]benzenesulfonamide

C19H23N3O3S — CID 2504611

IUPAC4-[[[(2R)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl]amino]methyl]benzenesulfonamide
SMILESC[C@@H](NCc1ccc(S(N)(=O)=O)cc1)C(=O)N1c2ccccc2C[C@@H]1C
InChIInChI=1S/C19H23N3O3S/c1-13-11-16-5-3-4-6-18(16)22(13)19(23)14(2)21-12-15-7-9-17(10-8-15)26(20,24)25/h3-10,13-14,21H,11-12H2,1-2H3,(H2,20,24,25)/t13-,14+/m0/s1
InChIKeyQZHDCZFMWCCPBU-UONOGXRCSA-N
MW373.48 g/mol
LogP1.79
Rot. Bonds5

About 4-[[[(2R)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl]amino]methyl]benzenesulfonamide

4-[[[(2R)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl]amino]methyl]benzenesulfonamide (PubChem CID 2504611) has the molecular formula C19H23N3O3S and a molecular weight of 373.48 g/mol. Its IUPAC name is 4-[[[(2R)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl]amino]methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[[[(2R)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl]amino]methyl]benzenesulfonamide
PubChem CID2504611
Molecular FormulaC19H23N3O3S
Molecular Weight373.48 g/mol
Exact Mass373.15
IUPAC Name4-[[[(2R)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl]amino]methyl]benzenesulfonamide
SMILESC[C@@H](NCc1ccc(S(N)(=O)=O)cc1)C(=O)N1c2ccccc2C[C@@H]1C
InChIInChI=1S/C19H23N3O3S/c1-13-11-16-5-3-4-6-18(16)22(13)19(23)14(2)21-12-15-7-9-17(10-8-15)26(20,24)25/h3-10,13-14,21H,11-12H2,1-2H3,(H2,20,24,25)/t13-,14+/m0/s1
InChIKeyQZHDCZFMWCCPBU-UONOGXRCSA-N
XLogP1.79
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[[[(2R)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl]amino]methyl]benzenesulfonamide with MolForge

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Related Compounds

(2S)-2-methyl-N-(4-sulfamoylphenyl)-2,3-dihydroindole-1-carbothioamide
CID 972032
2-methyl-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propan-1-one;sulfane
CID 160861486
(2R)-2-amino-3-methyl-1-(2-methyl-2,3-dihydroindol-1-yl)butan-1-one
CID 79011425
4-[2-[2-[(2R)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl]sulfanyl-4-oxoquinazolin-3-yl]ethyl]benzenesulfonamide
CID 98407988
(2S)-2-chloro-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propan-1-one
CID 2432568
[(2S)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl] 2-methoxy-5-sulfamoylbenzoate
CID 7467958
4-fluoro-N-[4-[[(2R)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl]amino]phenyl]benzenesulfonamide
CID 30935060
1-acetyl-N-[2-(4-sulfamoylphenyl)ethyl]-2,3-dihydroindole-2-carboxamide
CID 20954374
2-(3-methylanilino)-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one
CID 55351280
(2S)-2-(5-ethyl-2-methylpyridin-1-ium-1-yl)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propan-1-one
CID 8861967
3-methyl-N-[4-[[1-(2-methyl-2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]amino]phenyl]butanamide
CID 43049982
4-(2-methyl-2,3-dihydroindole-1-carbonyl)-N-(2-methylpropyl)benzenesulfonamide
CID 109058986

Frequently Asked Questions

What is the IUPAC name of 4-[[[(2R)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl]amino]methyl]benzenesulfonamide?
The IUPAC name of 4-[[[(2R)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl]amino]methyl]benzenesulfonamide (CID 2504611) is 4-[[[(2R)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl]amino]methyl]benzenesulfonamide.
What is the SMILES notation for 4-[[[(2R)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl]amino]methyl]benzenesulfonamide?
The canonical SMILES for 4-[[[(2R)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl]amino]methyl]benzenesulfonamide is C[C@@H](NCc1ccc(S(N)(=O)=O)cc1)C(=O)N1c2ccccc2C[C@@H]1C.
What is the InChIKey of 4-[[[(2R)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl]amino]methyl]benzenesulfonamide?
The InChIKey is QZHDCZFMWCCPBU-UONOGXRCSA-N. The full InChI is InChI=1S/C19H23N3O3S/c1-13-11-16-5-3-4-6-18(16)22(13)19(23)14(2)21-12-15-7-9-17(10-8-15)26(20,24)25/h3-10,13-14,21H,11-12H2,1-2H3,(H2,20,24,25)/t13-,14+/m0/s1.
What are the key properties of 4-[[[(2R)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl]amino]methyl]benzenesulfonamide?
4-[[[(2R)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl]amino]methyl]benzenesulfonamide has a molecular weight of 373.48 g/mol, XLogP of 1.79, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[(2R)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl]amino]methyl]benzenesulfonamide is sourced from PubChem (CID 2504611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).