(2R)-1-acetyl-N-benzyl-2-methyl-2,3-dihydroindole-5-sulfonamide

C18H20N2O3S — CID 41098800

IUPAC(2R)-1-acetyl-N-benzyl-2-methyl-2,3-dihydroindole-5-sulfonamide
SMILESCC(=O)N1c2ccc(S(=O)(=O)NCc3ccccc3)cc2C[C@H]1C
InChIInChI=1S/C18H20N2O3S/c1-13-10-16-11-17(8-9-18(16)20(13)14(2)21)24(22,23)19-12-15-6-4-3-5-7-15/h3-9,11,13,19H,10,12H2,1-2H3/t13-/m1/s1
InChIKeyRYCALOXSOUMBNM-CYBMUJFWSA-N
MW344.44 g/mol
LogP2.46
Rot. Bonds4

About (2R)-1-acetyl-N-benzyl-2-methyl-2,3-dihydroindole-5-sulfonamide

(2R)-1-acetyl-N-benzyl-2-methyl-2,3-dihydroindole-5-sulfonamide (PubChem CID 41098800) has the molecular formula C18H20N2O3S and a molecular weight of 344.44 g/mol. Its IUPAC name is (2R)-1-acetyl-N-benzyl-2-methyl-2,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound Name(2R)-1-acetyl-N-benzyl-2-methyl-2,3-dihydroindole-5-sulfonamide
PubChem CID41098800
Molecular FormulaC18H20N2O3S
Molecular Weight344.44 g/mol
Exact Mass344.12
IUPAC Name(2R)-1-acetyl-N-benzyl-2-methyl-2,3-dihydroindole-5-sulfonamide
SMILESCC(=O)N1c2ccc(S(=O)(=O)NCc3ccccc3)cc2C[C@H]1C
InChIInChI=1S/C18H20N2O3S/c1-13-10-16-11-17(8-9-18(16)20(13)14(2)21)24(22,23)19-12-15-6-4-3-5-7-15/h3-9,11,13,19H,10,12H2,1-2H3/t13-/m1/s1
InChIKeyRYCALOXSOUMBNM-CYBMUJFWSA-N
XLogP2.46
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-acetyl-2-methyl-N-(2-phenylethyl)-2,3-dihydroindole-5-sulfonamide
CID 15991770
(2R)-1-acetyl-N-[(1-benzylpyrrol-2-yl)methyl]-2-methyl-2,3-dihydroindole-5-sulfonamide
CID 93072300
3-[[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]-N-(2-phenylethyl)propanamide
CID 92687862
(2S)-1-acetyl-N-(cyclooctylmethyl)-2-methyl-2,3-dihydroindole-5-sulfonamide
CID 97024862
4-[[[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]methyl]cyclohexane-1-carboxylic acid
CID 92863752
3-[[(2R)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]-N-[(4-methylphenyl)methyl]propanamide
CID 92687837
2-methyl-N-[(4-methylphenyl)methyl]-1-propanoyl-2,3-dihydroindole-5-sulfonamide
CID 15993618
1-acetyl-2-methyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)-2,3-dihydroindole-5-sulfonamide;hydrochloride
CID 120721574
(2S)-1-acetyl-N-[(1-ethylbenzimidazol-2-yl)methyl]-2-methyl-2,3-dihydroindole-5-sulfonamide
CID 51594780
1-acetyl-2-methyl-N-(pyrrolidin-2-ylmethyl)-2,3-dihydroindole-5-sulfonamide
CID 119974443
3-[[(2R)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]-N-[[4-(dimethylamino)phenyl]methyl]propanamide
CID 92504991
(2S)-1-acetyl-2-methyl-N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-2,3-dihydroindole-5-sulfonamide
CID 92687840

Frequently Asked Questions

What is the IUPAC name of (2R)-1-acetyl-N-benzyl-2-methyl-2,3-dihydroindole-5-sulfonamide?
The IUPAC name of (2R)-1-acetyl-N-benzyl-2-methyl-2,3-dihydroindole-5-sulfonamide (CID 41098800) is (2R)-1-acetyl-N-benzyl-2-methyl-2,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for (2R)-1-acetyl-N-benzyl-2-methyl-2,3-dihydroindole-5-sulfonamide?
The canonical SMILES for (2R)-1-acetyl-N-benzyl-2-methyl-2,3-dihydroindole-5-sulfonamide is CC(=O)N1c2ccc(S(=O)(=O)NCc3ccccc3)cc2C[C@H]1C.
What is the InChIKey of (2R)-1-acetyl-N-benzyl-2-methyl-2,3-dihydroindole-5-sulfonamide?
The InChIKey is RYCALOXSOUMBNM-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H20N2O3S/c1-13-10-16-11-17(8-9-18(16)20(13)14(2)21)24(22,23)19-12-15-6-4-3-5-7-15/h3-9,11,13,19H,10,12H2,1-2H3/t13-/m1/s1.
What are the key properties of (2R)-1-acetyl-N-benzyl-2-methyl-2,3-dihydroindole-5-sulfonamide?
(2R)-1-acetyl-N-benzyl-2-methyl-2,3-dihydroindole-5-sulfonamide has a molecular weight of 344.44 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-acetyl-N-benzyl-2-methyl-2,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 41098800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).