(2S)-2-[[(2R)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]-N-(2-ethoxyphenyl)-3-methylbutanamide

C24H31N3O5S — CID 92705165

IUPAC(2S)-2-[[(2R)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]-N-(2-ethoxyphenyl)-3-methylbutanamide
SMILESCCOc1ccccc1NC(=O)[C@@H](NS(=O)(=O)c1ccc2c(c1)C[C@@H](C)N2C(C)=O)C(C)C
InChIInChI=1S/C24H31N3O5S/c1-6-32-22-10-8-7-9-20(22)25-24(29)23(15(2)3)26-33(30,31)19-11-12-21-18(14-19)13-16(4)27(21)17(5)28/h7-12,14-16,23,26H,6,13H2,1-5H3,(H,25,29)/t16-,23+/m1/s1
InChIKeyGZAKXGJGIIDBOE-MWTRTKDXSA-N
MW473.60 g/mol
LogP3.32
Rot. Bonds8

About (2S)-2-[[(2R)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]-N-(2-ethoxyphenyl)-3-methylbutanamide

(2S)-2-[[(2R)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]-N-(2-ethoxyphenyl)-3-methylbutanamide (PubChem CID 92705165) has the molecular formula C24H31N3O5S and a molecular weight of 473.60 g/mol. Its IUPAC name is (2S)-2-[[(2R)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]-N-(2-ethoxyphenyl)-3-methylbutanamide.

Molecular Properties

Compound Name(2S)-2-[[(2R)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]-N-(2-ethoxyphenyl)-3-methylbutanamide
PubChem CID92705165
Molecular FormulaC24H31N3O5S
Molecular Weight473.60 g/mol
Exact Mass473.20
IUPAC Name(2S)-2-[[(2R)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]-N-(2-ethoxyphenyl)-3-methylbutanamide
SMILESCCOc1ccccc1NC(=O)[C@@H](NS(=O)(=O)c1ccc2c(c1)C[C@@H](C)N2C(C)=O)C(C)C
InChIInChI=1S/C24H31N3O5S/c1-6-32-22-10-8-7-9-20(22)25-24(29)23(15(2)3)26-33(30,31)19-11-12-21-18(14-19)13-16(4)27(21)17(5)28/h7-12,14-16,23,26H,6,13H2,1-5H3,(H,25,29)/t16-,23+/m1/s1
InChIKeyGZAKXGJGIIDBOE-MWTRTKDXSA-N
XLogP3.32
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.60
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-[[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]-N-(3-methoxyphenyl)-3-methylbutanamide
CID 92705152
2-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-cyclopentyl-3-methylbutanamide
CID 46274930
2-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-(3-fluoro-4-methylphenyl)-3-methylbutanamide
CID 20902080
(3R)-1-[[(2R)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonyl]-N-(2-ethoxyphenyl)piperidine-3-carboxamide
CID 99731247
(2S)-1-acetyl-2-methyl-N-[(2S)-1-pyridin-2-ylpropan-2-yl]-2,3-dihydroindole-5-sulfonamide
CID 51593354
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
1-acetyl-N-(1-amino-4-methylpentan-2-yl)-2-methyl-2,3-dihydroindole-5-sulfonamide
CID 119983377
N-(2-ethoxyphenyl)-2-methyl-2,3-dihydroindole-1-carboxamide
CID 108992032
1-acetyl-N-[1-(3-bromo-4-methoxyphenyl)ethyl]-2-methyl-2,3-dihydroindole-5-sulfonamide
CID 74658277
(2R)-1-acetyl-N-benzyl-2-methyl-2,3-dihydroindole-5-sulfonamide
CID 41098800
(2S)-N-(2-ethoxyphenyl)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 7603014

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[(2R)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]-N-(2-ethoxyphenyl)-3-methylbutanamide?
The IUPAC name of (2S)-2-[[(2R)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]-N-(2-ethoxyphenyl)-3-methylbutanamide (CID 92705165) is (2S)-2-[[(2R)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]-N-(2-ethoxyphenyl)-3-methylbutanamide.
What is the SMILES notation for (2S)-2-[[(2R)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]-N-(2-ethoxyphenyl)-3-methylbutanamide?
The canonical SMILES for (2S)-2-[[(2R)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]-N-(2-ethoxyphenyl)-3-methylbutanamide is CCOc1ccccc1NC(=O)[C@@H](NS(=O)(=O)c1ccc2c(c1)C[C@@H](C)N2C(C)=O)C(C)C.
What is the InChIKey of (2S)-2-[[(2R)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]-N-(2-ethoxyphenyl)-3-methylbutanamide?
The InChIKey is GZAKXGJGIIDBOE-MWTRTKDXSA-N. The full InChI is InChI=1S/C24H31N3O5S/c1-6-32-22-10-8-7-9-20(22)25-24(29)23(15(2)3)26-33(30,31)19-11-12-21-18(14-19)13-16(4)27(21)17(5)28/h7-12,14-16,23,26H,6,13H2,1-5H3,(H,25,29)/t16-,23+/m1/s1.
What are the key properties of (2S)-2-[[(2R)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]-N-(2-ethoxyphenyl)-3-methylbutanamide?
(2S)-2-[[(2R)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]-N-(2-ethoxyphenyl)-3-methylbutanamide has a molecular weight of 473.60 g/mol, XLogP of 3.32, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[(2R)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]-N-(2-ethoxyphenyl)-3-methylbutanamide is sourced from PubChem (CID 92705165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).