2-[5-(tert-butylsulfamoyl)-2-pyridinyl]-1-cyclobutyl-5-fluoro-N,6-dimethylindole-3-carboxamide

C24H29FN4O3S — CID 66731019

IUPAC2-[5-(tert-butylsulfamoyl)-2-pyridinyl]-1-cyclobutyl-5-fluoro-N,6-dimethylindole-3-carboxamide
SMILESCNC(=O)c1c(-c2ccc(S(=O)(=O)NC(C)(C)C)cn2)n(C2CCC2)c2cc(C)c(F)cc12
InChIInChI=1S/C24H29FN4O3S/c1-14-11-20-17(12-18(14)25)21(23(30)26-5)22(29(20)15-7-6-8-15)19-10-9-16(13-27-19)33(31,32)28-24(2,3)4/h9-13,15,28H,6-8H2,1-5H3,(H,26,30)
InChIKeyRNSDBVWLBXOBQA-UHFFFAOYSA-N
MW472.59 g/mol
LogP4.31
Rot. Bonds5

About 2-[5-(tert-butylsulfamoyl)-2-pyridinyl]-1-cyclobutyl-5-fluoro-N,6-dimethylindole-3-carboxamide

2-[5-(tert-butylsulfamoyl)-2-pyridinyl]-1-cyclobutyl-5-fluoro-N,6-dimethylindole-3-carboxamide (PubChem CID 66731019) has the molecular formula C24H29FN4O3S and a molecular weight of 472.59 g/mol. Its IUPAC name is 2-[5-(tert-butylsulfamoyl)-2-pyridinyl]-1-cyclobutyl-5-fluoro-N,6-dimethylindole-3-carboxamide.

Molecular Properties

Compound Name2-[5-(tert-butylsulfamoyl)-2-pyridinyl]-1-cyclobutyl-5-fluoro-N,6-dimethylindole-3-carboxamide
PubChem CID66731019
Molecular FormulaC24H29FN4O3S
Molecular Weight472.59 g/mol
Exact Mass472.19
IUPAC Name2-[5-(tert-butylsulfamoyl)-2-pyridinyl]-1-cyclobutyl-5-fluoro-N,6-dimethylindole-3-carboxamide
SMILESCNC(=O)c1c(-c2ccc(S(=O)(=O)NC(C)(C)C)cn2)n(C2CCC2)c2cc(C)c(F)cc12
InChIInChI=1S/C24H29FN4O3S/c1-14-11-20-17(12-18(14)25)21(23(30)26-5)22(29(20)15-7-6-8-15)19-10-9-16(13-27-19)33(31,32)28-24(2,3)4/h9-13,15,28H,6-8H2,1-5H3,(H,26,30)
InChIKeyRNSDBVWLBXOBQA-UHFFFAOYSA-N
XLogP4.31
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.59
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(tert-butylsulfamoyl)-2-pyridinyl]-1-cyclobutyl-5-fluoro-N,6-dimethylindole-3-carboxamide?
The IUPAC name of 2-[5-(tert-butylsulfamoyl)-2-pyridinyl]-1-cyclobutyl-5-fluoro-N,6-dimethylindole-3-carboxamide (CID 66731019) is 2-[5-(tert-butylsulfamoyl)-2-pyridinyl]-1-cyclobutyl-5-fluoro-N,6-dimethylindole-3-carboxamide.
What is the SMILES notation for 2-[5-(tert-butylsulfamoyl)-2-pyridinyl]-1-cyclobutyl-5-fluoro-N,6-dimethylindole-3-carboxamide?
The canonical SMILES for 2-[5-(tert-butylsulfamoyl)-2-pyridinyl]-1-cyclobutyl-5-fluoro-N,6-dimethylindole-3-carboxamide is CNC(=O)c1c(-c2ccc(S(=O)(=O)NC(C)(C)C)cn2)n(C2CCC2)c2cc(C)c(F)cc12.
What is the InChIKey of 2-[5-(tert-butylsulfamoyl)-2-pyridinyl]-1-cyclobutyl-5-fluoro-N,6-dimethylindole-3-carboxamide?
The InChIKey is RNSDBVWLBXOBQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29FN4O3S/c1-14-11-20-17(12-18(14)25)21(23(30)26-5)22(29(20)15-7-6-8-15)19-10-9-16(13-27-19)33(31,32)28-24(2,3)4/h9-13,15,28H,6-8H2,1-5H3,(H,26,30).
What are the key properties of 2-[5-(tert-butylsulfamoyl)-2-pyridinyl]-1-cyclobutyl-5-fluoro-N,6-dimethylindole-3-carboxamide?
2-[5-(tert-butylsulfamoyl)-2-pyridinyl]-1-cyclobutyl-5-fluoro-N,6-dimethylindole-3-carboxamide has a molecular weight of 472.59 g/mol, XLogP of 4.31, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(tert-butylsulfamoyl)-2-pyridinyl]-1-cyclobutyl-5-fluoro-N,6-dimethylindole-3-carboxamide is sourced from PubChem (CID 66731019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).