(2S)-1-acetyl-2-methyl-N-[(2S)-1-pyridin-2-ylpropan-2-yl]-2,3-dihydroindole-5-sulfonamide

C19H23N3O3S — CID 51593354

IUPAC(2S)-1-acetyl-2-methyl-N-[(2S)-1-pyridin-2-ylpropan-2-yl]-2,3-dihydroindole-5-sulfonamide
SMILESCC(=O)N1c2ccc(S(=O)(=O)N[C@@H](C)Cc3ccccn3)cc2C[C@@H]1C
InChIInChI=1S/C19H23N3O3S/c1-13(10-17-6-4-5-9-20-17)21-26(24,25)18-7-8-19-16(12-18)11-14(2)22(19)15(3)23/h4-9,12-14,21H,10-11H2,1-3H3/t13-,14-/m0/s1
InChIKeyUIXLAXDBKOCIHC-KBPBESRZSA-N
MW373.48 g/mol
LogP2.29
Rot. Bonds5

About (2S)-1-acetyl-2-methyl-N-[(2S)-1-pyridin-2-ylpropan-2-yl]-2,3-dihydroindole-5-sulfonamide

(2S)-1-acetyl-2-methyl-N-[(2S)-1-pyridin-2-ylpropan-2-yl]-2,3-dihydroindole-5-sulfonamide (PubChem CID 51593354) has the molecular formula C19H23N3O3S and a molecular weight of 373.48 g/mol. Its IUPAC name is (2S)-1-acetyl-2-methyl-N-[(2S)-1-pyridin-2-ylpropan-2-yl]-2,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound Name(2S)-1-acetyl-2-methyl-N-[(2S)-1-pyridin-2-ylpropan-2-yl]-2,3-dihydroindole-5-sulfonamide
PubChem CID51593354
Molecular FormulaC19H23N3O3S
Molecular Weight373.48 g/mol
Exact Mass373.15
IUPAC Name(2S)-1-acetyl-2-methyl-N-[(2S)-1-pyridin-2-ylpropan-2-yl]-2,3-dihydroindole-5-sulfonamide
SMILESCC(=O)N1c2ccc(S(=O)(=O)N[C@@H](C)Cc3ccccn3)cc2C[C@@H]1C
InChIInChI=1S/C19H23N3O3S/c1-13(10-17-6-4-5-9-20-17)21-26(24,25)18-7-8-19-16(12-18)11-14(2)22(19)15(3)23/h4-9,12-14,21H,10-11H2,1-3H3/t13-,14-/m0/s1
InChIKeyUIXLAXDBKOCIHC-KBPBESRZSA-N
XLogP2.29
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-acetyl-2-methyl-N-(1-pyridin-2-ylpropan-2-yl)-2,3-dihydroindole-5-sulfonamide
CID 46972299
(2R)-1-acetyl-2-methyl-N-[(2S)-1-pyridin-2-ylpropan-2-yl]-2,3-dihydroindole-5-sulfonamide
CID 51593356
2-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-(3-methyl-2-pyridinyl)-3-phenylpropanamide
CID 20902032
1-acetyl-N-(1-amino-4-methylpentan-2-yl)-2-methyl-2,3-dihydroindole-5-sulfonamide
CID 119983377
(2S)-2-[[(2R)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]-N-(2-ethoxyphenyl)-3-methylbutanamide
CID 92705165
(2R)-1-acetyl-N-benzyl-2-methyl-2,3-dihydroindole-5-sulfonamide
CID 41098800
2-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-cyclopentyl-3-methylbutanamide
CID 46274930
1-acetyl-2-methyl-N-(2-phenylethyl)-2,3-dihydroindole-5-sulfonamide
CID 15991770
3-[[(2R)-1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]-N-(pyridin-2-ylmethyl)propanamide
CID 92687932
1-acetyl-2-methyl-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]-2,3-dihydroindole-5-sulfonamide
CID 46970597
(2S)-1-acetyl-N-[(1R)-1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-2-methyl-2,3-dihydroindole-5-sulfonamide
CID 51594645
(2S)-1-acetyl-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-methyl-2,3-dihydroindole-5-sulfonamide
CID 31844201

Frequently Asked Questions

What is the IUPAC name of (2S)-1-acetyl-2-methyl-N-[(2S)-1-pyridin-2-ylpropan-2-yl]-2,3-dihydroindole-5-sulfonamide?
The IUPAC name of (2S)-1-acetyl-2-methyl-N-[(2S)-1-pyridin-2-ylpropan-2-yl]-2,3-dihydroindole-5-sulfonamide (CID 51593354) is (2S)-1-acetyl-2-methyl-N-[(2S)-1-pyridin-2-ylpropan-2-yl]-2,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for (2S)-1-acetyl-2-methyl-N-[(2S)-1-pyridin-2-ylpropan-2-yl]-2,3-dihydroindole-5-sulfonamide?
The canonical SMILES for (2S)-1-acetyl-2-methyl-N-[(2S)-1-pyridin-2-ylpropan-2-yl]-2,3-dihydroindole-5-sulfonamide is CC(=O)N1c2ccc(S(=O)(=O)N[C@@H](C)Cc3ccccn3)cc2C[C@@H]1C.
What is the InChIKey of (2S)-1-acetyl-2-methyl-N-[(2S)-1-pyridin-2-ylpropan-2-yl]-2,3-dihydroindole-5-sulfonamide?
The InChIKey is UIXLAXDBKOCIHC-KBPBESRZSA-N. The full InChI is InChI=1S/C19H23N3O3S/c1-13(10-17-6-4-5-9-20-17)21-26(24,25)18-7-8-19-16(12-18)11-14(2)22(19)15(3)23/h4-9,12-14,21H,10-11H2,1-3H3/t13-,14-/m0/s1.
What are the key properties of (2S)-1-acetyl-2-methyl-N-[(2S)-1-pyridin-2-ylpropan-2-yl]-2,3-dihydroindole-5-sulfonamide?
(2S)-1-acetyl-2-methyl-N-[(2S)-1-pyridin-2-ylpropan-2-yl]-2,3-dihydroindole-5-sulfonamide has a molecular weight of 373.48 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-acetyl-2-methyl-N-[(2S)-1-pyridin-2-ylpropan-2-yl]-2,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 51593354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).