1-cyclopentyl-6-ethyl-5-fluoro-2-[4-(propan-2-ylsulfonylamino)phenyl]indole-3-carboxamide

C25H30FN3O3S — CID 127037188

IUPAC1-cyclopentyl-6-ethyl-5-fluoro-2-[4-(propan-2-ylsulfonylamino)phenyl]indole-3-carboxamide
SMILESCCc1cc2c(cc1F)c(C(N)=O)c(-c1ccc(NS(=O)(=O)C(C)C)cc1)n2C1CCCC1
InChIInChI=1S/C25H30FN3O3S/c1-4-16-13-22-20(14-21(16)26)23(25(27)30)24(29(22)19-7-5-6-8-19)17-9-11-18(12-10-17)28-33(31,32)15(2)3/h9-15,19,28H,4-8H2,1-3H3,(H2,27,30)
InChIKeyWZGROAFIMIXVCB-UHFFFAOYSA-N
MW471.60 g/mol
LogP5.37
Rot. Bonds7

About 1-cyclopentyl-6-ethyl-5-fluoro-2-[4-(propan-2-ylsulfonylamino)phenyl]indole-3-carboxamide

1-cyclopentyl-6-ethyl-5-fluoro-2-[4-(propan-2-ylsulfonylamino)phenyl]indole-3-carboxamide (PubChem CID 127037188) has the molecular formula C25H30FN3O3S and a molecular weight of 471.60 g/mol. Its IUPAC name is 1-cyclopentyl-6-ethyl-5-fluoro-2-[4-(propan-2-ylsulfonylamino)phenyl]indole-3-carboxamide.

Molecular Properties

Compound Name1-cyclopentyl-6-ethyl-5-fluoro-2-[4-(propan-2-ylsulfonylamino)phenyl]indole-3-carboxamide
PubChem CID127037188
Molecular FormulaC25H30FN3O3S
Molecular Weight471.60 g/mol
Exact Mass471.20
IUPAC Name1-cyclopentyl-6-ethyl-5-fluoro-2-[4-(propan-2-ylsulfonylamino)phenyl]indole-3-carboxamide
SMILESCCc1cc2c(cc1F)c(C(N)=O)c(-c1ccc(NS(=O)(=O)C(C)C)cc1)n2C1CCCC1
InChIInChI=1S/C25H30FN3O3S/c1-4-16-13-22-20(14-21(16)26)23(25(27)30)24(29(22)19-7-5-6-8-19)17-9-11-18(12-10-17)28-33(31,32)15(2)3/h9-15,19,28H,4-8H2,1-3H3,(H2,27,30)
InChIKeyWZGROAFIMIXVCB-UHFFFAOYSA-N
XLogP5.37
TPSA94.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.60
LogP ≤ 55.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-6-ethyl-5-fluoro-2-[4-(propan-2-ylsulfonylamino)phenyl]indole-3-carboxamide?
The IUPAC name of 1-cyclopentyl-6-ethyl-5-fluoro-2-[4-(propan-2-ylsulfonylamino)phenyl]indole-3-carboxamide (CID 127037188) is 1-cyclopentyl-6-ethyl-5-fluoro-2-[4-(propan-2-ylsulfonylamino)phenyl]indole-3-carboxamide.
What is the SMILES notation for 1-cyclopentyl-6-ethyl-5-fluoro-2-[4-(propan-2-ylsulfonylamino)phenyl]indole-3-carboxamide?
The canonical SMILES for 1-cyclopentyl-6-ethyl-5-fluoro-2-[4-(propan-2-ylsulfonylamino)phenyl]indole-3-carboxamide is CCc1cc2c(cc1F)c(C(N)=O)c(-c1ccc(NS(=O)(=O)C(C)C)cc1)n2C1CCCC1.
What is the InChIKey of 1-cyclopentyl-6-ethyl-5-fluoro-2-[4-(propan-2-ylsulfonylamino)phenyl]indole-3-carboxamide?
The InChIKey is WZGROAFIMIXVCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30FN3O3S/c1-4-16-13-22-20(14-21(16)26)23(25(27)30)24(29(22)19-7-5-6-8-19)17-9-11-18(12-10-17)28-33(31,32)15(2)3/h9-15,19,28H,4-8H2,1-3H3,(H2,27,30).
What are the key properties of 1-cyclopentyl-6-ethyl-5-fluoro-2-[4-(propan-2-ylsulfonylamino)phenyl]indole-3-carboxamide?
1-cyclopentyl-6-ethyl-5-fluoro-2-[4-(propan-2-ylsulfonylamino)phenyl]indole-3-carboxamide has a molecular weight of 471.60 g/mol, XLogP of 5.37, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-6-ethyl-5-fluoro-2-[4-(propan-2-ylsulfonylamino)phenyl]indole-3-carboxamide is sourced from PubChem (CID 127037188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).