2-[4-(tert-butylsulfonylamino)phenyl]-1-cyclopentyl-5-fluoro-6-methoxyindole-3-carboxamide

C25H30FN3O4S — CID 127036369

IUPAC2-[4-(tert-butylsulfonylamino)phenyl]-1-cyclopentyl-5-fluoro-6-methoxyindole-3-carboxamide
SMILESCOc1cc2c(cc1F)c(C(N)=O)c(-c1ccc(NS(=O)(=O)C(C)(C)C)cc1)n2C1CCCC1
InChIInChI=1S/C25H30FN3O4S/c1-25(2,3)34(31,32)28-16-11-9-15(10-12-16)23-22(24(27)30)18-13-19(26)21(33-4)14-20(18)29(23)17-7-5-6-8-17/h9-14,17,28H,5-8H2,1-4H3,(H2,27,30)
InChIKeyGCLPWNXFPDLFKS-UHFFFAOYSA-N
MW487.60 g/mol
LogP5.21
Rot. Bonds6

About 2-[4-(tert-butylsulfonylamino)phenyl]-1-cyclopentyl-5-fluoro-6-methoxyindole-3-carboxamide

2-[4-(tert-butylsulfonylamino)phenyl]-1-cyclopentyl-5-fluoro-6-methoxyindole-3-carboxamide (PubChem CID 127036369) has the molecular formula C25H30FN3O4S and a molecular weight of 487.60 g/mol. Its IUPAC name is 2-[4-(tert-butylsulfonylamino)phenyl]-1-cyclopentyl-5-fluoro-6-methoxyindole-3-carboxamide.

Molecular Properties

Compound Name2-[4-(tert-butylsulfonylamino)phenyl]-1-cyclopentyl-5-fluoro-6-methoxyindole-3-carboxamide
PubChem CID127036369
Molecular FormulaC25H30FN3O4S
Molecular Weight487.60 g/mol
Exact Mass487.19
IUPAC Name2-[4-(tert-butylsulfonylamino)phenyl]-1-cyclopentyl-5-fluoro-6-methoxyindole-3-carboxamide
SMILESCOc1cc2c(cc1F)c(C(N)=O)c(-c1ccc(NS(=O)(=O)C(C)(C)C)cc1)n2C1CCCC1
InChIInChI=1S/C25H30FN3O4S/c1-25(2,3)34(31,32)28-16-11-9-15(10-12-16)23-22(24(27)30)18-13-19(26)21(33-4)14-20(18)29(23)17-7-5-6-8-17/h9-14,17,28H,5-8H2,1-4H3,(H2,27,30)
InChIKeyGCLPWNXFPDLFKS-UHFFFAOYSA-N
XLogP5.21
TPSA103.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.60
LogP ≤ 55.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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-[4-(propan-2-ylsulfonylamino)phenyl]indole-3-carboxamide
CID 127037188
2-[5-(tert-butylsulfonylamino)-2-pyridinyl]-1-cyclohexyl-6-ethyl-5-fluoroindole-3-carboxylic acid
CID 66798703
(6S)-3-(tert-butylsulfonylamino)-6-cyclopropyl-9-(difluoromethoxy)-10-fluoro-5,6-dihydroindolo[2,1-f][1,6]naphthyridine-12-carboxamide
CID 70370467
1-cyclopentyl-6-ethyl-5-fluoro-2-[5-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]-2-pyridinyl]indole-3-carboxamide
CID 66731276
2-[6-(tert-butylsulfonylamino)-3-pyridinyl]-1-[(1S)-1-cyclopropylethyl]-6-ethyl-5-fluoroindole-3-carboxamide
CID 66731181
2-[5-(tert-butylsulfamoyl)-2-pyridinyl]-1-cyclobutyl-6-(difluoromethoxy)-5-fluoroindole-3-carboxamide;6-[3-cyano-1-cyclobutyl-6-(difluoromethoxy)-5-fluoroindol-2-yl]pyridine-3-sulfonamide
CID 158607511
1-cyclohexyl-6-(difluoromethoxy)-2-[5-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]pyrimidin-2-yl]indole-3-carboxamide
CID 66733475
N-[2-(1-cyclohexyl-6-ethyl-5-fluoroindol-2-yl)pyrimidin-5-yl]-2-methylpropane-2-sulfonamide
CID 141298550
N-[4-[3-amino-1-cyclobutyl-6-(2,2-difluoroethoxy)indol-2-yl]phenyl]-2,2-dimethylpropane-1-sulfonamide
CID 88923726
5-chloro-1-cyclobutyl-2-[5-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]-2-pyridinyl]indole-3-carboxamide
CID 66733534

Frequently Asked Questions

What is the IUPAC name of 2-[4-(tert-butylsulfonylamino)phenyl]-1-cyclopentyl-5-fluoro-6-methoxyindole-3-carboxamide?
The IUPAC name of 2-[4-(tert-butylsulfonylamino)phenyl]-1-cyclopentyl-5-fluoro-6-methoxyindole-3-carboxamide (CID 127036369) is 2-[4-(tert-butylsulfonylamino)phenyl]-1-cyclopentyl-5-fluoro-6-methoxyindole-3-carboxamide.
What is the SMILES notation for 2-[4-(tert-butylsulfonylamino)phenyl]-1-cyclopentyl-5-fluoro-6-methoxyindole-3-carboxamide?
The canonical SMILES for 2-[4-(tert-butylsulfonylamino)phenyl]-1-cyclopentyl-5-fluoro-6-methoxyindole-3-carboxamide is COc1cc2c(cc1F)c(C(N)=O)c(-c1ccc(NS(=O)(=O)C(C)(C)C)cc1)n2C1CCCC1.
What is the InChIKey of 2-[4-(tert-butylsulfonylamino)phenyl]-1-cyclopentyl-5-fluoro-6-methoxyindole-3-carboxamide?
The InChIKey is GCLPWNXFPDLFKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30FN3O4S/c1-25(2,3)34(31,32)28-16-11-9-15(10-12-16)23-22(24(27)30)18-13-19(26)21(33-4)14-20(18)29(23)17-7-5-6-8-17/h9-14,17,28H,5-8H2,1-4H3,(H2,27,30).
What are the key properties of 2-[4-(tert-butylsulfonylamino)phenyl]-1-cyclopentyl-5-fluoro-6-methoxyindole-3-carboxamide?
2-[4-(tert-butylsulfonylamino)phenyl]-1-cyclopentyl-5-fluoro-6-methoxyindole-3-carboxamide has a molecular weight of 487.60 g/mol, XLogP of 5.21, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(tert-butylsulfonylamino)phenyl]-1-cyclopentyl-5-fluoro-6-methoxyindole-3-carboxamide is sourced from PubChem (CID 127036369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).