1-acetyl-N-[(2S)-4-(dimethylamino)butan-2-yl]-2,3-dihydroindole-5-sulfonamide

C16H25N3O3S — CID 95637329

IUPAC1-acetyl-N-[(2S)-4-(dimethylamino)butan-2-yl]-2,3-dihydroindole-5-sulfonamide
SMILESCC(=O)N1CCc2cc(S(=O)(=O)N[C@@H](C)CCN(C)C)ccc21
InChIInChI=1S/C16H25N3O3S/c1-12(7-9-18(3)4)17-23(21,22)15-5-6-16-14(11-15)8-10-19(16)13(2)20/h5-6,11-12,17H,7-10H2,1-4H3/t12-/m0/s1
InChIKeyGQRJXHCWPKLZMN-LBPRGKRZSA-N
MW339.46 g/mol
LogP1.21
Rot. Bonds6

About 1-acetyl-N-[(2S)-4-(dimethylamino)butan-2-yl]-2,3-dihydroindole-5-sulfonamide

1-acetyl-N-[(2S)-4-(dimethylamino)butan-2-yl]-2,3-dihydroindole-5-sulfonamide (PubChem CID 95637329) has the molecular formula C16H25N3O3S and a molecular weight of 339.46 g/mol. Its IUPAC name is 1-acetyl-N-[(2S)-4-(dimethylamino)butan-2-yl]-2,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound Name1-acetyl-N-[(2S)-4-(dimethylamino)butan-2-yl]-2,3-dihydroindole-5-sulfonamide
PubChem CID95637329
Molecular FormulaC16H25N3O3S
Molecular Weight339.46 g/mol
Exact Mass339.16
IUPAC Name1-acetyl-N-[(2S)-4-(dimethylamino)butan-2-yl]-2,3-dihydroindole-5-sulfonamide
SMILESCC(=O)N1CCc2cc(S(=O)(=O)N[C@@H](C)CCN(C)C)ccc21
InChIInChI=1S/C16H25N3O3S/c1-12(7-9-18(3)4)17-23(21,22)15-5-6-16-14(11-15)8-10-19(16)13(2)20/h5-6,11-12,17H,7-10H2,1-4H3/t12-/m0/s1
InChIKeyGQRJXHCWPKLZMN-LBPRGKRZSA-N
XLogP1.21
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-acetyl-N-(4-phenylbutan-2-yl)-2,3-dihydroindole-5-sulfonamide
CID 85457192
1-acetyl-N-butan-2-yl-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 60681169
5-[[(2S)-butan-2-yl]sulfamoyl]-N-methyl-2,3-dihydroindole-1-carboxamide
CID 93065305
1-acetyl-N-hydroxy-2,3-dihydroindole-5-sulfonamide
CID 82088952
1-acetyl-N-(3-aminobutyl)-2,3-dihydroindole-5-sulfonamide
CID 63253957
1-acetyl-2,3-dihydroindole-5-sulfonohydrazide
CID 43476939
(2R)-2-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-3-methyl-N-[(2R)-4-phenylbutan-2-yl]butanamide
CID 92661510
1-acetyl-N-(1-hydroxypropan-2-yl)-N-methyl-2,3-dihydroindole-5-sulfonamide
CID 115776398
1-acetyl-N-[(2S)-1-(azepan-1-yl)-4-methyl-1-oxopentan-2-yl]-2,3-dihydroindole-5-sulfonamide
CID 92661637
1-acetyl-N-(2-hydroxyethyl)-N-methyl-2,3-dihydroindole-5-sulfonamide
CID 39419247
2-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-(3-methylbutyl)acetamide
CID 112995217
1-acetyl-N-[(2R)-2-hydroxypropyl]-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 39452518

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-[(2S)-4-(dimethylamino)butan-2-yl]-2,3-dihydroindole-5-sulfonamide?
The IUPAC name of 1-acetyl-N-[(2S)-4-(dimethylamino)butan-2-yl]-2,3-dihydroindole-5-sulfonamide (CID 95637329) is 1-acetyl-N-[(2S)-4-(dimethylamino)butan-2-yl]-2,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for 1-acetyl-N-[(2S)-4-(dimethylamino)butan-2-yl]-2,3-dihydroindole-5-sulfonamide?
The canonical SMILES for 1-acetyl-N-[(2S)-4-(dimethylamino)butan-2-yl]-2,3-dihydroindole-5-sulfonamide is CC(=O)N1CCc2cc(S(=O)(=O)N[C@@H](C)CCN(C)C)ccc21.
What is the InChIKey of 1-acetyl-N-[(2S)-4-(dimethylamino)butan-2-yl]-2,3-dihydroindole-5-sulfonamide?
The InChIKey is GQRJXHCWPKLZMN-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H25N3O3S/c1-12(7-9-18(3)4)17-23(21,22)15-5-6-16-14(11-15)8-10-19(16)13(2)20/h5-6,11-12,17H,7-10H2,1-4H3/t12-/m0/s1.
What are the key properties of 1-acetyl-N-[(2S)-4-(dimethylamino)butan-2-yl]-2,3-dihydroindole-5-sulfonamide?
1-acetyl-N-[(2S)-4-(dimethylamino)butan-2-yl]-2,3-dihydroindole-5-sulfonamide has a molecular weight of 339.46 g/mol, XLogP of 1.21, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-[(2S)-4-(dimethylamino)butan-2-yl]-2,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 95637329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).