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

C26H34FN5O4S2 — CID 143781011

IUPAC2-(4-butan-2-yl-5-fluoro-2,3-dihydroindol-1-yl)-4-hydroxy-N-[5-(1,3-thiazol-2-ylsulfamoyl)-2-pyridinyl]butanamide;ethane
SMILESCC.CCC(C)c1c(F)ccc2c1CCN2C(CCO)C(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cn1
InChIInChI=1S/C24H28FN5O4S2.C2H6/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;1-2/h4-7,10,13-15,20,31H,3,8-9,11-12H2,1-2H3,(H,26,29)(H,27,28,32);1-2H3
InChIKeyVTVDXHXNCLPDPM-UHFFFAOYSA-N
MW563.72 g/mol
LogP4.77
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;ethane

2-(4-butan-2-yl-5-fluoro-2,3-dihydroindol-1-yl)-4-hydroxy-N-[5-(1,3-thiazol-2-ylsulfamoyl)-2-pyridinyl]butanamide;ethane (PubChem CID 143781011) has the molecular formula C26H34FN5O4S2 and a molecular weight of 563.72 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;ethane.

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;ethane
PubChem CID143781011
Molecular FormulaC26H34FN5O4S2
Molecular Weight563.72 g/mol
Exact Mass563.20
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;ethane
SMILESCC.CCC(C)c1c(F)ccc2c1CCN2C(CCO)C(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cn1
InChIInChI=1S/C24H28FN5O4S2.C2H6/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;1-2/h4-7,10,13-15,20,31H,3,8-9,11-12H2,1-2H3,(H,26,29)(H,27,28,32);1-2H3
InChIKeyVTVDXHXNCLPDPM-UHFFFAOYSA-N
XLogP4.77
TPSA124.52 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500563.72
LogP ≤ 54.77
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;ethane with MolForge

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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;ethane?
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;ethane (CID 143781011) 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;ethane.
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;ethane?
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;ethane is CC.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;ethane?
The InChIKey is VTVDXHXNCLPDPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28FN5O4S2.C2H6/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;1-2/h4-7,10,13-15,20,31H,3,8-9,11-12H2,1-2H3,(H,26,29)(H,27,28,32);1-2H3.
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;ethane?
2-(4-butan-2-yl-5-fluoro-2,3-dihydroindol-1-yl)-4-hydroxy-N-[5-(1,3-thiazol-2-ylsulfamoyl)-2-pyridinyl]butanamide;ethane has a molecular weight of 563.72 g/mol, XLogP of 4.77, 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;ethane is sourced from PubChem (CID 143781011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).