2-(4-butan-2-yl-5-fluoro-2,3-dihydroindol-1-yl)-4-hydroxy-N-[5-(1,3-thiazol-2-ylsulfamoyl)-2-pyridinyl]butanamide

C24H28FN5O4S2 — CID 143781012

IUPAC2-(4-butan-2-yl-5-fluoro-2,3-dihydroindol-1-yl)-4-hydroxy-N-[5-(1,3-thiazol-2-ylsulfamoyl)-2-pyridinyl]butanamide
SMILESCCC(C)c1c(F)ccc2c1CCN2C(CCO)C(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cn1
InChIInChI=1S/C24H28FN5O4S2/c1-3-15(2)22-17-8-11-30(19(17)6-5-18(22)25)20(9-12-31)23(32)28-21-7-4-16(14-27-21)36(33,34)29-24-26-10-13-35-24/h4-7,10,13-15,20,31H,3,8-9,11-12H2,1-2H3,(H,26,29)(H,27,28,32)
InChIKeyCXBXHBSYKDSSTD-UHFFFAOYSA-N
MW533.65 g/mol
LogP3.74
Rot. Bonds10

About 2-(4-butan-2-yl-5-fluoro-2,3-dihydroindol-1-yl)-4-hydroxy-N-[5-(1,3-thiazol-2-ylsulfamoyl)-2-pyridinyl]butanamide

2-(4-butan-2-yl-5-fluoro-2,3-dihydroindol-1-yl)-4-hydroxy-N-[5-(1,3-thiazol-2-ylsulfamoyl)-2-pyridinyl]butanamide (PubChem CID 143781012) has the molecular formula C24H28FN5O4S2 and a molecular weight of 533.65 g/mol. Its IUPAC name is 2-(4-butan-2-yl-5-fluoro-2,3-dihydroindol-1-yl)-4-hydroxy-N-[5-(1,3-thiazol-2-ylsulfamoyl)-2-pyridinyl]butanamide.

Molecular Properties

Compound Name2-(4-butan-2-yl-5-fluoro-2,3-dihydroindol-1-yl)-4-hydroxy-N-[5-(1,3-thiazol-2-ylsulfamoyl)-2-pyridinyl]butanamide
PubChem CID143781012
Molecular FormulaC24H28FN5O4S2
Molecular Weight533.65 g/mol
Exact Mass533.16
IUPAC Name2-(4-butan-2-yl-5-fluoro-2,3-dihydroindol-1-yl)-4-hydroxy-N-[5-(1,3-thiazol-2-ylsulfamoyl)-2-pyridinyl]butanamide
SMILESCCC(C)c1c(F)ccc2c1CCN2C(CCO)C(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cn1
InChIInChI=1S/C24H28FN5O4S2/c1-3-15(2)22-17-8-11-30(19(17)6-5-18(22)25)20(9-12-31)23(32)28-21-7-4-16(14-27-21)36(33,34)29-24-26-10-13-35-24/h4-7,10,13-15,20,31H,3,8-9,11-12H2,1-2H3,(H,26,29)(H,27,28,32)
InChIKeyCXBXHBSYKDSSTD-UHFFFAOYSA-N
XLogP3.74
TPSA124.52 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500533.65
LogP ≤ 53.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 2-(4-butan-2-yl-5-fluoro-2,3-dihydroindol-1-yl)-4-hydroxy-N-[5-(1,3-thiazol-2-ylsulfamoyl)-2-pyridinyl]butanamide 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 2-(4-butan-2-yl-5-fluoro-2,3-dihydroindol-1-yl)-4-hydroxy-N-[5-(1,3-thiazol-2-ylsulfamoyl)-2-pyridinyl]butanamide?
The IUPAC name of 2-(4-butan-2-yl-5-fluoro-2,3-dihydroindol-1-yl)-4-hydroxy-N-[5-(1,3-thiazol-2-ylsulfamoyl)-2-pyridinyl]butanamide (CID 143781012) is 2-(4-butan-2-yl-5-fluoro-2,3-dihydroindol-1-yl)-4-hydroxy-N-[5-(1,3-thiazol-2-ylsulfamoyl)-2-pyridinyl]butanamide.
What is the SMILES notation for 2-(4-butan-2-yl-5-fluoro-2,3-dihydroindol-1-yl)-4-hydroxy-N-[5-(1,3-thiazol-2-ylsulfamoyl)-2-pyridinyl]butanamide?
The canonical SMILES for 2-(4-butan-2-yl-5-fluoro-2,3-dihydroindol-1-yl)-4-hydroxy-N-[5-(1,3-thiazol-2-ylsulfamoyl)-2-pyridinyl]butanamide is CCC(C)c1c(F)ccc2c1CCN2C(CCO)C(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cn1.
What is the InChIKey of 2-(4-butan-2-yl-5-fluoro-2,3-dihydroindol-1-yl)-4-hydroxy-N-[5-(1,3-thiazol-2-ylsulfamoyl)-2-pyridinyl]butanamide?
The InChIKey is CXBXHBSYKDSSTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28FN5O4S2/c1-3-15(2)22-17-8-11-30(19(17)6-5-18(22)25)20(9-12-31)23(32)28-21-7-4-16(14-27-21)36(33,34)29-24-26-10-13-35-24/h4-7,10,13-15,20,31H,3,8-9,11-12H2,1-2H3,(H,26,29)(H,27,28,32).
What are the key properties of 2-(4-butan-2-yl-5-fluoro-2,3-dihydroindol-1-yl)-4-hydroxy-N-[5-(1,3-thiazol-2-ylsulfamoyl)-2-pyridinyl]butanamide?
2-(4-butan-2-yl-5-fluoro-2,3-dihydroindol-1-yl)-4-hydroxy-N-[5-(1,3-thiazol-2-ylsulfamoyl)-2-pyridinyl]butanamide has a molecular weight of 533.65 g/mol, XLogP of 3.74, 10 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-butan-2-yl-5-fluoro-2,3-dihydroindol-1-yl)-4-hydroxy-N-[5-(1,3-thiazol-2-ylsulfamoyl)-2-pyridinyl]butanamide is sourced from PubChem (CID 143781012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).