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

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

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Related Compounds

2-[5-(Tert-butylsulfonylamino)-2-pyridinyl]-1-cyclohexyl-6-ethyl-5-fluoroindole-3-carboxamide
CID 66798197
2-[6-(Tert-butylsulfonylamino)-3-pyridinyl]-1-cyclohexyl-6-ethyl-5-fluoroindole-3-carboxamide
CID 66798228
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-(1-pyridin-2-ylethyl)indole-3-carboxamide
CID 117807901
1-[(Z)-4-amino-2-fluorobut-2-enyl]-3-[3-(dimethylsulfamoyl)phenyl]-N,N,2-trimethylindole-6-carboxamide;hydrochloride
CID 137459833
N-[1-[(4-fluorophenyl)methyl]-6-(1-methyl-7-oxo-6H-pyrrolo[2,3-c]pyridin-3-yl)indol-4-yl]ethanesulfonamide
CID 155461096
N-[1-[(3,3-difluorocyclobutyl)methyl]-6-(1-methyl-7-oxo-6H-pyrrolo[2,3-c]pyridin-3-yl)indol-4-yl]methanesulfonamide
CID 155461223
2-(1-(2-(diethylamino)-2-oxoethyl)-1H-indol-3-yl)-2-oxo-N-(4-sulfamoylphenethyl)acetamide
CID 16194835
[(3R)-4-(1H-indol-3-ylsulfonyl)-3-methyl-piperazin-1-yl]-phenyl-methanone
CID 44435262
[(3R)-4-[(4-fluoro-1H-indol-3-yl)sulfonyl]-3-methyl-piperazin-1-yl]-phenyl-methanone
CID 44435263
[(3R)-4-[(4,7-difluoro-1H-indol-3-yl)sulfonyl]-3-methyl-piperazin-1-yl]-phenyl-methanone
CID 44435264
3-cyclohexyl-1-methyl-2-(2-pyridyl)-N-[1-[(4-sulfamoylphenyl)carbamoyl]cyclobutyl]indole-6-carboxamide
CID 54587654
[(3S)-4-(1H-indol-3-ylsulfonyl)-3-methylpiperazin-1-yl]-phenylmethanone
CID 73355154

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).