6-bromo-4-[3-(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)propanoyl]-N,N,3-trimethyl-2,3-dihydroindole-1-sulfonamide

C21H26BrN3O5S — CID 159951960

IUPAC6-bromo-4-[3-(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)propanoyl]-N,N,3-trimethyl-2,3-dihydroindole-1-sulfonamide
SMILESCOc1cc(C)[nH]c(=O)c1CCC(=O)c1cc(Br)cc2c1C(C)CN2S(=O)(=O)N(C)C
InChIInChI=1S/C21H26BrN3O5S/c1-12-11-25(31(28,29)24(3)4)17-10-14(22)9-16(20(12)17)18(26)7-6-15-19(30-5)8-13(2)23-21(15)27/h8-10,12H,6-7,11H2,1-5H3,(H,23,27)
InChIKeyZFGUYNPFAKNMAJ-UHFFFAOYSA-N
MW512.43 g/mol
LogP3.00
Rot. Bonds7

About 6-bromo-4-[3-(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)propanoyl]-N,N,3-trimethyl-2,3-dihydroindole-1-sulfonamide

6-bromo-4-[3-(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)propanoyl]-N,N,3-trimethyl-2,3-dihydroindole-1-sulfonamide (PubChem CID 159951960) has the molecular formula C21H26BrN3O5S and a molecular weight of 512.43 g/mol. Its IUPAC name is 6-bromo-4-[3-(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)propanoyl]-N,N,3-trimethyl-2,3-dihydroindole-1-sulfonamide.

Molecular Properties

Compound Name6-bromo-4-[3-(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)propanoyl]-N,N,3-trimethyl-2,3-dihydroindole-1-sulfonamide
PubChem CID159951960
Molecular FormulaC21H26BrN3O5S
Molecular Weight512.43 g/mol
Exact Mass511.08
IUPAC Name6-bromo-4-[3-(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)propanoyl]-N,N,3-trimethyl-2,3-dihydroindole-1-sulfonamide
SMILESCOc1cc(C)[nH]c(=O)c1CCC(=O)c1cc(Br)cc2c1C(C)CN2S(=O)(=O)N(C)C
InChIInChI=1S/C21H26BrN3O5S/c1-12-11-25(31(28,29)24(3)4)17-10-14(22)9-16(20(12)17)18(26)7-6-15-19(30-5)8-13(2)23-21(15)27/h8-10,12H,6-7,11H2,1-5H3,(H,23,27)
InChIKeyZFGUYNPFAKNMAJ-UHFFFAOYSA-N
XLogP3.00
TPSA99.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500512.43
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-bromo-4-[3-(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)propanoyl]-N,N,3-trimethyl-2,3-dihydroindole-1-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-[3-(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)propanoyl]-N,N,3-trimethyl-2,3-dihydroindole-1-sulfonamide?
The IUPAC name of 6-bromo-4-[3-(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)propanoyl]-N,N,3-trimethyl-2,3-dihydroindole-1-sulfonamide (CID 159951960) is 6-bromo-4-[3-(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)propanoyl]-N,N,3-trimethyl-2,3-dihydroindole-1-sulfonamide.
What is the SMILES notation for 6-bromo-4-[3-(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)propanoyl]-N,N,3-trimethyl-2,3-dihydroindole-1-sulfonamide?
The canonical SMILES for 6-bromo-4-[3-(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)propanoyl]-N,N,3-trimethyl-2,3-dihydroindole-1-sulfonamide is COc1cc(C)[nH]c(=O)c1CCC(=O)c1cc(Br)cc2c1C(C)CN2S(=O)(=O)N(C)C.
What is the InChIKey of 6-bromo-4-[3-(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)propanoyl]-N,N,3-trimethyl-2,3-dihydroindole-1-sulfonamide?
The InChIKey is ZFGUYNPFAKNMAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26BrN3O5S/c1-12-11-25(31(28,29)24(3)4)17-10-14(22)9-16(20(12)17)18(26)7-6-15-19(30-5)8-13(2)23-21(15)27/h8-10,12H,6-7,11H2,1-5H3,(H,23,27).
What are the key properties of 6-bromo-4-[3-(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)propanoyl]-N,N,3-trimethyl-2,3-dihydroindole-1-sulfonamide?
6-bromo-4-[3-(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)propanoyl]-N,N,3-trimethyl-2,3-dihydroindole-1-sulfonamide has a molecular weight of 512.43 g/mol, XLogP of 3.00, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4-[3-(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)propanoyl]-N,N,3-trimethyl-2,3-dihydroindole-1-sulfonamide is sourced from PubChem (CID 159951960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).