N-[2-(1-cyclohexyl-6-ethyl-5-fluoroindol-2-yl)pyrimidin-5-yl]-2-methylpropane-2-sulfonamide

C24H31FN4O2S — CID 141298550

IUPACN-[2-(1-cyclohexyl-6-ethyl-5-fluoroindol-2-yl)pyrimidin-5-yl]-2-methylpropane-2-sulfonamide
SMILESCCc1cc2c(cc1F)cc(-c1ncc(NS(=O)(=O)C(C)(C)C)cn1)n2C1CCCCC1
InChIInChI=1S/C24H31FN4O2S/c1-5-16-12-21-17(11-20(16)25)13-22(29(21)19-9-7-6-8-10-19)23-26-14-18(15-27-23)28-32(30,31)24(2,3)4/h11-15,19,28H,5-10H2,1-4H3
InChIKeyILUONRKTAKDJQW-UHFFFAOYSA-N
MW458.60 g/mol
LogP5.85
Rot. Bonds5

About N-[2-(1-cyclohexyl-6-ethyl-5-fluoroindol-2-yl)pyrimidin-5-yl]-2-methylpropane-2-sulfonamide

N-[2-(1-cyclohexyl-6-ethyl-5-fluoroindol-2-yl)pyrimidin-5-yl]-2-methylpropane-2-sulfonamide (PubChem CID 141298550) has the molecular formula C24H31FN4O2S and a molecular weight of 458.60 g/mol. Its IUPAC name is N-[2-(1-cyclohexyl-6-ethyl-5-fluoroindol-2-yl)pyrimidin-5-yl]-2-methylpropane-2-sulfonamide.

Molecular Properties

Compound NameN-[2-(1-cyclohexyl-6-ethyl-5-fluoroindol-2-yl)pyrimidin-5-yl]-2-methylpropane-2-sulfonamide
PubChem CID141298550
Molecular FormulaC24H31FN4O2S
Molecular Weight458.60 g/mol
Exact Mass458.22
IUPAC NameN-[2-(1-cyclohexyl-6-ethyl-5-fluoroindol-2-yl)pyrimidin-5-yl]-2-methylpropane-2-sulfonamide
SMILESCCc1cc2c(cc1F)cc(-c1ncc(NS(=O)(=O)C(C)(C)C)cn1)n2C1CCCCC1
InChIInChI=1S/C24H31FN4O2S/c1-5-16-12-21-17(11-20(16)25)13-22(29(21)19-9-7-6-8-10-19)23-26-14-18(15-27-23)28-32(30,31)24(2,3)4/h11-15,19,28H,5-10H2,1-4H3
InChIKeyILUONRKTAKDJQW-UHFFFAOYSA-N
XLogP5.85
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.60
LogP ≤ 55.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[5-(tert-butylsulfonylamino)-2-pyridinyl]-1-cyclohexyl-6-ethyl-5-fluoroindole-3-carboxylic acid
CID 66798703
2-[4-(tert-butylsulfonylamino)phenyl]-1-cyclopentyl-5-fluoro-6-methoxyindole-3-carboxamide
CID 127036369
N-tert-butyl-6-(3-cyano-1-cyclobutyl-6-ethyl-5-fluoroindol-2-yl)pyridine-3-sulfonamide
CID 66730940
2-[6-(tert-butylsulfonylamino)-3-pyridinyl]-1-cyclohexyl-6-(difluoromethoxy)-5-fluoroindole-3-carboxamide
CID 66731304
2-[4-(tert-butylsulfonylamino)phenyl]-1-cyclopentyl-4-fluoro-6-methylindole-3-carboxamide
CID 127037344
1-cyclopentyl-6-ethyl-5-fluoro-2-[5-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]-2-pyridinyl]indole-3-carboxamide
CID 66731276
1-cyclopropyl-2-(6-ethylpyridazin-4-yl)-5,6-difluoroindole
CID 135187829
2-[6-(tert-butylsulfonylamino)-3-pyridinyl]-1-[(1S)-1-cyclopropylethyl]-6-ethyl-5-fluoroindole-3-carboxamide
CID 66731181
1-cyclopentyl-6-ethyl-5-fluoro-2-[4-(propan-2-ylsulfonylamino)phenyl]indole-3-carboxamide
CID 127037188
6-[1-cyclobutyl-6-(difluoromethoxy)-5-fluoroindol-2-yl]-N-(1,1,1-trifluoropropan-2-yl)pyridine-3-sulfonamide
CID 91397868
6-ethyl-5-fluoro-1-methylindazole
CID 89250991
1-[6-(1-cyclopentyl-6-ethyl-5-fluoro-3-pent-1-ynylindol-2-yl)-3-pyridinyl]-2-[1-(trifluoromethyl)cyclopropyl]ethanone
CID 91335912

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-cyclohexyl-6-ethyl-5-fluoroindol-2-yl)pyrimidin-5-yl]-2-methylpropane-2-sulfonamide?
The IUPAC name of N-[2-(1-cyclohexyl-6-ethyl-5-fluoroindol-2-yl)pyrimidin-5-yl]-2-methylpropane-2-sulfonamide (CID 141298550) is N-[2-(1-cyclohexyl-6-ethyl-5-fluoroindol-2-yl)pyrimidin-5-yl]-2-methylpropane-2-sulfonamide.
What is the SMILES notation for N-[2-(1-cyclohexyl-6-ethyl-5-fluoroindol-2-yl)pyrimidin-5-yl]-2-methylpropane-2-sulfonamide?
The canonical SMILES for N-[2-(1-cyclohexyl-6-ethyl-5-fluoroindol-2-yl)pyrimidin-5-yl]-2-methylpropane-2-sulfonamide is CCc1cc2c(cc1F)cc(-c1ncc(NS(=O)(=O)C(C)(C)C)cn1)n2C1CCCCC1.
What is the InChIKey of N-[2-(1-cyclohexyl-6-ethyl-5-fluoroindol-2-yl)pyrimidin-5-yl]-2-methylpropane-2-sulfonamide?
The InChIKey is ILUONRKTAKDJQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31FN4O2S/c1-5-16-12-21-17(11-20(16)25)13-22(29(21)19-9-7-6-8-10-19)23-26-14-18(15-27-23)28-32(30,31)24(2,3)4/h11-15,19,28H,5-10H2,1-4H3.
What are the key properties of N-[2-(1-cyclohexyl-6-ethyl-5-fluoroindol-2-yl)pyrimidin-5-yl]-2-methylpropane-2-sulfonamide?
N-[2-(1-cyclohexyl-6-ethyl-5-fluoroindol-2-yl)pyrimidin-5-yl]-2-methylpropane-2-sulfonamide has a molecular weight of 458.60 g/mol, XLogP of 5.85, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-cyclohexyl-6-ethyl-5-fluoroindol-2-yl)pyrimidin-5-yl]-2-methylpropane-2-sulfonamide is sourced from PubChem (CID 141298550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).