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

C25H30FN3O3S — CID 127037344

IUPAC2-[4-(tert-butylsulfonylamino)phenyl]-1-cyclopentyl-4-fluoro-6-methylindole-3-carboxamide
SMILESCc1cc(F)c2c(C(N)=O)c(-c3ccc(NS(=O)(=O)C(C)(C)C)cc3)n(C3CCCC3)c2c1
InChIInChI=1S/C25H30FN3O3S/c1-15-13-19(26)21-20(14-15)29(18-7-5-6-8-18)23(22(21)24(27)30)16-9-11-17(12-10-16)28-33(31,32)25(2,3)4/h9-14,18,28H,5-8H2,1-4H3,(H2,27,30)
InChIKeySWBYPJBKUJOJDH-UHFFFAOYSA-N
MW471.60 g/mol
LogP5.51
Rot. Bonds5

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

2-[4-(tert-butylsulfonylamino)phenyl]-1-cyclopentyl-4-fluoro-6-methylindole-3-carboxamide (PubChem CID 127037344) has the molecular formula C25H30FN3O3S and a molecular weight of 471.60 g/mol. Its IUPAC name is 2-[4-(tert-butylsulfonylamino)phenyl]-1-cyclopentyl-4-fluoro-6-methylindole-3-carboxamide.

Molecular Properties

Compound Name2-[4-(tert-butylsulfonylamino)phenyl]-1-cyclopentyl-4-fluoro-6-methylindole-3-carboxamide
PubChem CID127037344
Molecular FormulaC25H30FN3O3S
Molecular Weight471.60 g/mol
Exact Mass471.20
IUPAC Name2-[4-(tert-butylsulfonylamino)phenyl]-1-cyclopentyl-4-fluoro-6-methylindole-3-carboxamide
SMILESCc1cc(F)c2c(C(N)=O)c(-c3ccc(NS(=O)(=O)C(C)(C)C)cc3)n(C3CCCC3)c2c1
InChIInChI=1S/C25H30FN3O3S/c1-15-13-19(26)21-20(14-15)29(18-7-5-6-8-18)23(22(21)24(27)30)16-9-11-17(12-10-16)28-33(31,32)25(2,3)4/h9-14,18,28H,5-8H2,1-4H3,(H2,27,30)
InChIKeySWBYPJBKUJOJDH-UHFFFAOYSA-N
XLogP5.51
TPSA94.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.60
LogP ≤ 55.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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-butylsulfonylamino)-2-pyridinyl]-1-cyclohexyl-6-ethyl-5-fluoroindole-3-carboxylic acid
CID 66798703
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
1-cyclohexyl-2-[4-[2-(1-methylcyclopropyl)ethylamino]phenyl]-5-(trifluoromethyl)pyrrolo[2,3-b]pyridine-3-carboxamide
CID 91545021
2-[6-(tert-butylsulfonylamino)-3-pyridinyl]-1-[(1S)-1-cyclopropylethyl]-6-ethyl-5-fluoroindole-3-carboxamide
CID 66731181
N-[4-[3-amino-1-cyclobutyl-6-(2,2-difluoroethoxy)indol-2-yl]phenyl]-2,2-dimethylpropane-1-sulfonamide
CID 88923726
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
N-[4-[3-amino-1-cyclobutyl-6-(4-methylpiperazine-1-carbonyl)indol-2-yl]phenyl]cyclopropanesulfonamide
CID 70859398
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-4-fluoro-6-methylindole-3-carboxamide?
The IUPAC name of 2-[4-(tert-butylsulfonylamino)phenyl]-1-cyclopentyl-4-fluoro-6-methylindole-3-carboxamide (CID 127037344) is 2-[4-(tert-butylsulfonylamino)phenyl]-1-cyclopentyl-4-fluoro-6-methylindole-3-carboxamide.
What is the SMILES notation for 2-[4-(tert-butylsulfonylamino)phenyl]-1-cyclopentyl-4-fluoro-6-methylindole-3-carboxamide?
The canonical SMILES for 2-[4-(tert-butylsulfonylamino)phenyl]-1-cyclopentyl-4-fluoro-6-methylindole-3-carboxamide is Cc1cc(F)c2c(C(N)=O)c(-c3ccc(NS(=O)(=O)C(C)(C)C)cc3)n(C3CCCC3)c2c1.
What is the InChIKey of 2-[4-(tert-butylsulfonylamino)phenyl]-1-cyclopentyl-4-fluoro-6-methylindole-3-carboxamide?
The InChIKey is SWBYPJBKUJOJDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30FN3O3S/c1-15-13-19(26)21-20(14-15)29(18-7-5-6-8-18)23(22(21)24(27)30)16-9-11-17(12-10-16)28-33(31,32)25(2,3)4/h9-14,18,28H,5-8H2,1-4H3,(H2,27,30).
What are the key properties of 2-[4-(tert-butylsulfonylamino)phenyl]-1-cyclopentyl-4-fluoro-6-methylindole-3-carboxamide?
2-[4-(tert-butylsulfonylamino)phenyl]-1-cyclopentyl-4-fluoro-6-methylindole-3-carboxamide has a molecular weight of 471.60 g/mol, XLogP of 5.51, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(tert-butylsulfonylamino)phenyl]-1-cyclopentyl-4-fluoro-6-methylindole-3-carboxamide is sourced from PubChem (CID 127037344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).