1-acetyl-2-methyl-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-2,3-dihydroindole-5-sulfonamide

C23H20N4O3S2 — CID 121025102

IUPAC1-acetyl-2-methyl-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-2,3-dihydroindole-5-sulfonamide
SMILESCC(=O)N1c2ccc(S(=O)(=O)Nc3ccc(-c4nc5cccnc5s4)cc3)cc2CC1C
InChIInChI=1S/C23H20N4O3S2/c1-14-12-17-13-19(9-10-21(17)27(14)15(2)28)32(29,30)26-18-7-5-16(6-8-18)22-25-20-4-3-11-24-23(20)31-22/h3-11,13-14,26H,12H2,1-2H3
InChIKeyXEJUHNZTAGRDLQ-UHFFFAOYSA-N
MW464.57 g/mol
LogP4.46
Rot. Bonds4

About 1-acetyl-2-methyl-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-2,3-dihydroindole-5-sulfonamide

1-acetyl-2-methyl-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-2,3-dihydroindole-5-sulfonamide (PubChem CID 121025102) has the molecular formula C23H20N4O3S2 and a molecular weight of 464.57 g/mol. Its IUPAC name is 1-acetyl-2-methyl-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-2,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound Name1-acetyl-2-methyl-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-2,3-dihydroindole-5-sulfonamide
PubChem CID121025102
Molecular FormulaC23H20N4O3S2
Molecular Weight464.57 g/mol
Exact Mass464.10
IUPAC Name1-acetyl-2-methyl-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-2,3-dihydroindole-5-sulfonamide
SMILESCC(=O)N1c2ccc(S(=O)(=O)Nc3ccc(-c4nc5cccnc5s4)cc3)cc2CC1C
InChIInChI=1S/C23H20N4O3S2/c1-14-12-17-13-19(9-10-21(17)27(14)15(2)28)32(29,30)26-18-7-5-16(6-8-18)22-25-20-4-3-11-24-23(20)31-22/h3-11,13-14,26H,12H2,1-2H3
InChIKeyXEJUHNZTAGRDLQ-UHFFFAOYSA-N
XLogP4.46
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.57
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]phenyl]acetamide
CID 28737727
(2R)-1-acetyl-N-(3,4-dimethylphenyl)-2-methyl-2,3-dihydroindole-5-sulfonamide
CID 40637751
(2S)-1-acetyl-N-(3,4-dimethylphenyl)-2-methyl-2,3-dihydroindole-5-sulfonamide
CID 40637750
1-acetyl-2-methyl-N-[4-(propylsulfamoyl)phenyl]-2,3-dihydroindole-5-sulfonamide
CID 43053461
1-acetyl-N-(3,5-difluorophenyl)-2-methyl-2,3-dihydroindole-5-sulfonamide
CID 51299300
ethyl 4-[[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]benzoate
CID 40653874
(2R)-1-acetyl-2-methyl-N-[3-(1,3-oxazol-5-yl)phenyl]-2,3-dihydroindole-5-sulfonamide
CID 51963359
dimethyl 5-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonylamino]benzene-1,3-dicarboxylate
CID 131842012
N-[3-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonylamino]phenyl]cyclopropanecarboxamide
CID 43055164
2,4-dimethyl-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzenesulfonamide
CID 16806793
1-acetyl-2-iodo-N-phenyl-2,3-dihydroindole-5-sulfonamide
CID 89426561
(2R)-1-acetyl-2-methyl-N-[1-(quinolin-8-ylmethyl)pyrazol-3-yl]-2,3-dihydroindole-5-sulfonamide
CID 95344598

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-2-methyl-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-2,3-dihydroindole-5-sulfonamide?
The IUPAC name of 1-acetyl-2-methyl-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-2,3-dihydroindole-5-sulfonamide (CID 121025102) is 1-acetyl-2-methyl-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-2,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for 1-acetyl-2-methyl-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-2,3-dihydroindole-5-sulfonamide?
The canonical SMILES for 1-acetyl-2-methyl-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-2,3-dihydroindole-5-sulfonamide is CC(=O)N1c2ccc(S(=O)(=O)Nc3ccc(-c4nc5cccnc5s4)cc3)cc2CC1C.
What is the InChIKey of 1-acetyl-2-methyl-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-2,3-dihydroindole-5-sulfonamide?
The InChIKey is XEJUHNZTAGRDLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O3S2/c1-14-12-17-13-19(9-10-21(17)27(14)15(2)28)32(29,30)26-18-7-5-16(6-8-18)22-25-20-4-3-11-24-23(20)31-22/h3-11,13-14,26H,12H2,1-2H3.
What are the key properties of 1-acetyl-2-methyl-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-2,3-dihydroindole-5-sulfonamide?
1-acetyl-2-methyl-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-2,3-dihydroindole-5-sulfonamide has a molecular weight of 464.57 g/mol, XLogP of 4.46, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-2-methyl-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-2,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 121025102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).