methyl 2-[5-(tert-butylsulfamoyl)-2-pyridinyl]-1-cyclobutyl-5-fluoro-6-methylindole-3-carboxylate

C24H28FN3O4S — CID 66731338

IUPACmethyl 2-[5-(tert-butylsulfamoyl)-2-pyridinyl]-1-cyclobutyl-5-fluoro-6-methylindole-3-carboxylate
SMILESCOC(=O)c1c(-c2ccc(S(=O)(=O)NC(C)(C)C)cn2)n(C2CCC2)c2cc(C)c(F)cc12
InChIInChI=1S/C24H28FN3O4S/c1-14-11-20-17(12-18(14)25)21(23(29)32-5)22(28(20)15-7-6-8-15)19-10-9-16(13-26-19)33(30,31)27-24(2,3)4/h9-13,15,27H,6-8H2,1-5H3
InChIKeyJDEKTGJCCWNOMX-UHFFFAOYSA-N
MW473.57 g/mol
LogP4.74
Rot. Bonds5

About methyl 2-[5-(tert-butylsulfamoyl)-2-pyridinyl]-1-cyclobutyl-5-fluoro-6-methylindole-3-carboxylate

methyl 2-[5-(tert-butylsulfamoyl)-2-pyridinyl]-1-cyclobutyl-5-fluoro-6-methylindole-3-carboxylate (PubChem CID 66731338) has the molecular formula C24H28FN3O4S and a molecular weight of 473.57 g/mol. Its IUPAC name is methyl 2-[5-(tert-butylsulfamoyl)-2-pyridinyl]-1-cyclobutyl-5-fluoro-6-methylindole-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-[5-(tert-butylsulfamoyl)-2-pyridinyl]-1-cyclobutyl-5-fluoro-6-methylindole-3-carboxylate
PubChem CID66731338
Molecular FormulaC24H28FN3O4S
Molecular Weight473.57 g/mol
Exact Mass473.18
IUPAC Namemethyl 2-[5-(tert-butylsulfamoyl)-2-pyridinyl]-1-cyclobutyl-5-fluoro-6-methylindole-3-carboxylate
SMILESCOC(=O)c1c(-c2ccc(S(=O)(=O)NC(C)(C)C)cn2)n(C2CCC2)c2cc(C)c(F)cc12
InChIInChI=1S/C24H28FN3O4S/c1-14-11-20-17(12-18(14)25)21(23(29)32-5)22(28(20)15-7-6-8-15)19-10-9-16(13-26-19)33(30,31)27-24(2,3)4/h9-13,15,27H,6-8H2,1-5H3
InChIKeyJDEKTGJCCWNOMX-UHFFFAOYSA-N
XLogP4.74
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.57
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 2-[5-(tert-butylsulfamoyl)-2-pyridinyl]-1-cyclobutyl-5-fluoro-6-methylindole-3-carboxylate with MolForge

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Related Compounds

(1-(2-((Methylsulfonyl)amino)ethyl)-4-piperidinyl)methyl 1-methyl-1H-indole-3-carboxylate
CID 119376
Methyl 1-(benzenesulfonyl)-1H-indole-3-carboxylate
CID 3829008
[1-[2-(Methanesulfonamido)ethyl]piperidin-4-yl]methyl 1-(tritritiomethyl)indole-3-carboxylate
CID 44559101
Tryptamine sulfonamide, 32
CID 24825395
(Z)-methyl 1-(4-amino-2-fluorobut-2-en-1-yl)-3-(3-(N,N-dimethylsulfamoyl)phenyl)-2-methyl-1H-indole-6-carboxylate
CID 130340290
1H-Indole-3-carboxylic acid, 1-(phenylsulfonyl)-, 1-methylethyl ester
CID 10914874
[1-[2-(Methanesulfonamido)ethyl]piperidin-4-yl]methyl 5-fluoro-1-methylindole-3-carboxylate
CID 44210359
1H-Indole-3-carboxylic acid, 1-(phenylsulfonyl)-, ethyl ester
CID 506826
(7R)-7-[(4-fluorophenyl)sulfonyl-methylamino]-6,7,8,9-tetrahydropyrido[1,2-a]indole-10-carboxylic acid
CID 53316674
methyl 1-tosyl-1H-indole-3-carboxylate
CID 20994643
[1-[2-(Methylsulfamoyl)ethyl]piperidin-4-yl]methyl 1-methylindole-3-carboxylate
CID 44210354
[1-[2-[Methyl(methylsulfonyl)amino]ethyl]piperidin-4-yl]methyl 1-methylindole-3-carboxylate
CID 44210362

Frequently Asked Questions

What is the IUPAC name of methyl 2-[5-(tert-butylsulfamoyl)-2-pyridinyl]-1-cyclobutyl-5-fluoro-6-methylindole-3-carboxylate?
The IUPAC name of methyl 2-[5-(tert-butylsulfamoyl)-2-pyridinyl]-1-cyclobutyl-5-fluoro-6-methylindole-3-carboxylate (CID 66731338) is methyl 2-[5-(tert-butylsulfamoyl)-2-pyridinyl]-1-cyclobutyl-5-fluoro-6-methylindole-3-carboxylate.
What is the SMILES notation for methyl 2-[5-(tert-butylsulfamoyl)-2-pyridinyl]-1-cyclobutyl-5-fluoro-6-methylindole-3-carboxylate?
The canonical SMILES for methyl 2-[5-(tert-butylsulfamoyl)-2-pyridinyl]-1-cyclobutyl-5-fluoro-6-methylindole-3-carboxylate is COC(=O)c1c(-c2ccc(S(=O)(=O)NC(C)(C)C)cn2)n(C2CCC2)c2cc(C)c(F)cc12.
What is the InChIKey of methyl 2-[5-(tert-butylsulfamoyl)-2-pyridinyl]-1-cyclobutyl-5-fluoro-6-methylindole-3-carboxylate?
The InChIKey is JDEKTGJCCWNOMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28FN3O4S/c1-14-11-20-17(12-18(14)25)21(23(29)32-5)22(28(20)15-7-6-8-15)19-10-9-16(13-26-19)33(30,31)27-24(2,3)4/h9-13,15,27H,6-8H2,1-5H3.
What are the key properties of methyl 2-[5-(tert-butylsulfamoyl)-2-pyridinyl]-1-cyclobutyl-5-fluoro-6-methylindole-3-carboxylate?
methyl 2-[5-(tert-butylsulfamoyl)-2-pyridinyl]-1-cyclobutyl-5-fluoro-6-methylindole-3-carboxylate has a molecular weight of 473.57 g/mol, XLogP of 4.74, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[5-(tert-butylsulfamoyl)-2-pyridinyl]-1-cyclobutyl-5-fluoro-6-methylindole-3-carboxylate is sourced from PubChem (CID 66731338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).