2-[5-(tert-butylsulfonylamino)-2-pyridinyl]-1-cyclohexyl-6-ethyl-5-fluoroindole-3-carboxylic acid

C26H32FN3O4S — CID 66798703

IUPAC2-[5-(tert-butylsulfonylamino)-2-pyridinyl]-1-cyclohexyl-6-ethyl-5-fluoroindole-3-carboxylic acid
SMILESCCc1cc2c(cc1F)c(C(=O)O)c(-c1ccc(NS(=O)(=O)C(C)(C)C)cn1)n2C1CCCCC1
InChIInChI=1S/C26H32FN3O4S/c1-5-16-13-22-19(14-20(16)27)23(25(31)32)24(30(22)18-9-7-6-8-10-18)21-12-11-17(15-28-21)29-35(33,34)26(2,3)4/h11-15,18,29H,5-10H2,1-4H3,(H,31,32)
InChIKeyURWACWIUDHFCAU-UHFFFAOYSA-N
MW501.62 g/mol
LogP6.15
Rot. Bonds6

About 2-[5-(tert-butylsulfonylamino)-2-pyridinyl]-1-cyclohexyl-6-ethyl-5-fluoroindole-3-carboxylic acid

2-[5-(tert-butylsulfonylamino)-2-pyridinyl]-1-cyclohexyl-6-ethyl-5-fluoroindole-3-carboxylic acid (PubChem CID 66798703) has the molecular formula C26H32FN3O4S and a molecular weight of 501.62 g/mol. Its IUPAC name is 2-[5-(tert-butylsulfonylamino)-2-pyridinyl]-1-cyclohexyl-6-ethyl-5-fluoroindole-3-carboxylic acid.

Molecular Properties

Compound Name2-[5-(tert-butylsulfonylamino)-2-pyridinyl]-1-cyclohexyl-6-ethyl-5-fluoroindole-3-carboxylic acid
PubChem CID66798703
Molecular FormulaC26H32FN3O4S
Molecular Weight501.62 g/mol
Exact Mass501.21
IUPAC Name2-[5-(tert-butylsulfonylamino)-2-pyridinyl]-1-cyclohexyl-6-ethyl-5-fluoroindole-3-carboxylic acid
SMILESCCc1cc2c(cc1F)c(C(=O)O)c(-c1ccc(NS(=O)(=O)C(C)(C)C)cn1)n2C1CCCCC1
InChIInChI=1S/C26H32FN3O4S/c1-5-16-13-22-19(14-20(16)27)23(25(31)32)24(30(22)18-9-7-6-8-10-18)21-12-11-17(15-28-21)29-35(33,34)26(2,3)4/h11-15,18,29H,5-10H2,1-4H3,(H,31,32)
InChIKeyURWACWIUDHFCAU-UHFFFAOYSA-N
XLogP6.15
TPSA101.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.62
LogP ≤ 56.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[5-(tert-butylsulfonylamino)-2-pyridinyl]-1-cyclohexyl-6-ethyl-5-fluoroindole-3-carboxylic acid with MolForge

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Launch Full Analysis

Related Compounds

N-[2-(1-cyclohexyl-6-ethyl-5-fluoroindol-2-yl)pyrimidin-5-yl]-2-methylpropane-2-sulfonamide
CID 141298550
1-cyclopentyl-6-ethyl-5-fluoro-2-[5-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]-2-pyridinyl]indole-3-carboxamide
CID 66731276
N-tert-butyl-6-(3-cyano-1-cyclobutyl-6-ethyl-5-fluoroindol-2-yl)pyridine-3-sulfonamide
CID 66730940
2-[4-(tert-butylsulfonylamino)phenyl]-1-cyclopentyl-5-fluoro-6-methoxyindole-3-carboxamide
CID 127036369
1-cyclopentyl-6-ethyl-5-fluoro-2-[4-(propan-2-ylsulfonylamino)phenyl]indole-3-carboxamide
CID 127037188
2-[6-(tert-butylsulfonylamino)-3-pyridinyl]-1-cyclohexyl-6-(difluoromethoxy)-5-fluoroindole-3-carboxamide
CID 66731304
2-[5-(tert-butylsulfamoyl)-2-pyridinyl]-1-cyclobutyl-5-fluoro-N,6-dimethylindole-3-carboxamide
CID 66731019
1-[6-(1-cyclopentyl-6-ethyl-5-fluoro-3-pent-1-ynylindol-2-yl)-3-pyridinyl]-2-[1-(trifluoromethyl)cyclopropyl]ethanone
CID 91335912
methyl 1-cyclopentyl-5-fluoro-6-methyl-2-[5-(3,4,4-trimethylpentyl)-2-pyridinyl]indole-3-carboxylate
CID 91136574
2-[6-(tert-butylsulfonylamino)-3-pyridinyl]-1-[(1S)-1-cyclopropylethyl]-6-ethyl-5-fluoroindole-3-carboxamide
CID 66731181
1-cyclopentyl-5-fluoro-4,6-dimethyl-2-[5-[(1,1,1-trifluoro-2-methylpropan-2-yl)sulfamoyl]-2-pyridinyl]indole-3-carboxylic acid
CID 118976227
2-[4-(tert-butylsulfonylamino)phenyl]-1-cyclopentyl-4-fluoro-6-methylindole-3-carboxamide
CID 127037344

Frequently Asked Questions

What is the IUPAC name of 2-[5-(tert-butylsulfonylamino)-2-pyridinyl]-1-cyclohexyl-6-ethyl-5-fluoroindole-3-carboxylic acid?
The IUPAC name of 2-[5-(tert-butylsulfonylamino)-2-pyridinyl]-1-cyclohexyl-6-ethyl-5-fluoroindole-3-carboxylic acid (CID 66798703) is 2-[5-(tert-butylsulfonylamino)-2-pyridinyl]-1-cyclohexyl-6-ethyl-5-fluoroindole-3-carboxylic acid.
What is the SMILES notation for 2-[5-(tert-butylsulfonylamino)-2-pyridinyl]-1-cyclohexyl-6-ethyl-5-fluoroindole-3-carboxylic acid?
The canonical SMILES for 2-[5-(tert-butylsulfonylamino)-2-pyridinyl]-1-cyclohexyl-6-ethyl-5-fluoroindole-3-carboxylic acid is CCc1cc2c(cc1F)c(C(=O)O)c(-c1ccc(NS(=O)(=O)C(C)(C)C)cn1)n2C1CCCCC1.
What is the InChIKey of 2-[5-(tert-butylsulfonylamino)-2-pyridinyl]-1-cyclohexyl-6-ethyl-5-fluoroindole-3-carboxylic acid?
The InChIKey is URWACWIUDHFCAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32FN3O4S/c1-5-16-13-22-19(14-20(16)27)23(25(31)32)24(30(22)18-9-7-6-8-10-18)21-12-11-17(15-28-21)29-35(33,34)26(2,3)4/h11-15,18,29H,5-10H2,1-4H3,(H,31,32).
What are the key properties of 2-[5-(tert-butylsulfonylamino)-2-pyridinyl]-1-cyclohexyl-6-ethyl-5-fluoroindole-3-carboxylic acid?
2-[5-(tert-butylsulfonylamino)-2-pyridinyl]-1-cyclohexyl-6-ethyl-5-fluoroindole-3-carboxylic acid has a molecular weight of 501.62 g/mol, XLogP of 6.15, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(tert-butylsulfonylamino)-2-pyridinyl]-1-cyclohexyl-6-ethyl-5-fluoroindole-3-carboxylic acid is sourced from PubChem (CID 66798703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).