N-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-2,4-dimethylbenzenesulfonamide

C19H22N2O3S — CID 110348158

IUPACN-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-2,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCc3ccccc32)c(C)c1
InChIInChI=1S/C19H22N2O3S/c1-13-8-9-18(14(2)12-13)25(23,24)20-15(3)19(22)21-11-10-16-6-4-5-7-17(16)21/h4-9,12,15,20H,10-11H2,1-3H3/t15-/m0/s1
InChIKeyYAKBGEAULGZWFK-HNNXBMFYSA-N
MW358.46 g/mol
LogP2.56
Rot. Bonds4

About N-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-2,4-dimethylbenzenesulfonamide

N-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-2,4-dimethylbenzenesulfonamide (PubChem CID 110348158) has the molecular formula C19H22N2O3S and a molecular weight of 358.46 g/mol. Its IUPAC name is N-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-2,4-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-2,4-dimethylbenzenesulfonamide
PubChem CID110348158
Molecular FormulaC19H22N2O3S
Molecular Weight358.46 g/mol
Exact Mass358.14
IUPAC NameN-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-2,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCc3ccccc32)c(C)c1
InChIInChI=1S/C19H22N2O3S/c1-13-8-9-18(14(2)12-13)25(23,24)20-15(3)19(22)21-11-10-16-6-4-5-7-17(16)21/h4-9,12,15,20H,10-11H2,1-3H3/t15-/m0/s1
InChIKeyYAKBGEAULGZWFK-HNNXBMFYSA-N
XLogP2.56
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-(2,4-dimethylphenyl)urea
CID 92881495
N-[(2S)-1-(2,3-dihydroindol-1-yl)-3-methyl-1-oxobutan-2-yl]-3-methylbenzenesulfonamide
CID 110348988
1-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-(4-methylphenyl)sulfonylurea
CID 110348145
N-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-5-ethylthiophene-2-sulfonamide
CID 110348178
N-[(2S)-1-(2,3-dihydroindol-1-yl)-3-methyl-1-oxobutan-2-yl]methanesulfonamide
CID 110348973
N-[(2S)-1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]-2,4-dimethylbenzamide
CID 95056727
(2R)-N-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-2-methoxypropane-1-sulfonamide
CID 100717934
ethyl N-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]carbamate
CID 110348137
1-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-methylurea
CID 46383472
1-(4-chlorophenyl)-N-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]methanesulfonamide
CID 75357606
[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 2,5-dimethylbenzoate
CID 2661581
1-[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-(2-methylphenyl)urea
CID 92881468

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-2,4-dimethylbenzenesulfonamide?
The IUPAC name of N-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-2,4-dimethylbenzenesulfonamide (CID 110348158) is N-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-2,4-dimethylbenzenesulfonamide.
What is the SMILES notation for N-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-2,4-dimethylbenzenesulfonamide?
The canonical SMILES for N-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-2,4-dimethylbenzenesulfonamide is Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCc3ccccc32)c(C)c1.
What is the InChIKey of N-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-2,4-dimethylbenzenesulfonamide?
The InChIKey is YAKBGEAULGZWFK-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H22N2O3S/c1-13-8-9-18(14(2)12-13)25(23,24)20-15(3)19(22)21-11-10-16-6-4-5-7-17(16)21/h4-9,12,15,20H,10-11H2,1-3H3/t15-/m0/s1.
What are the key properties of N-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-2,4-dimethylbenzenesulfonamide?
N-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-2,4-dimethylbenzenesulfonamide has a molecular weight of 358.46 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-2,4-dimethylbenzenesulfonamide is sourced from PubChem (CID 110348158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).