1'-acetyl-4-fluoro-1-(4-fluorophenyl)sulfonyl-2-propan-2-yl-N-[[2-(trifluoromethyl)phenyl]methyl]spiro[2H-indole-3,4'-piperidine]-5-carboxamide

C32H32F5N3O4S — CID 144864992

IUPAC1'-acetyl-4-fluoro-1-(4-fluorophenyl)sulfonyl-2-propan-2-yl-N-[[2-(trifluoromethyl)phenyl]methyl]spiro[2H-indole-3,4'-piperidine]-5-carboxamide
SMILESCC(=O)N1CCC2(CC1)c1c(ccc(C(=O)NCc3ccccc3C(F)(F)F)c1F)N(S(=O)(=O)c1ccc(F)cc1)C2C(C)C
InChIInChI=1S/C32H32F5N3O4S/c1-19(2)29-31(14-16-39(17-15-31)20(3)41)27-26(40(29)45(43,44)23-10-8-22(33)9-11-23)13-12-24(28(27)34)30(42)38-18-21-6-4-5-7-25(21)32(35,36)37/h4-13,19,29H,14-18H2,1-3H3,(H,38,42)
InChIKeyHYNDNKZYWYAUIB-UHFFFAOYSA-N
MW649.68 g/mol
LogP6.03
Rot. Bonds6

About 1'-acetyl-4-fluoro-1-(4-fluorophenyl)sulfonyl-2-propan-2-yl-N-[[2-(trifluoromethyl)phenyl]methyl]spiro[2H-indole-3,4'-piperidine]-5-carboxamide

1'-acetyl-4-fluoro-1-(4-fluorophenyl)sulfonyl-2-propan-2-yl-N-[[2-(trifluoromethyl)phenyl]methyl]spiro[2H-indole-3,4'-piperidine]-5-carboxamide (PubChem CID 144864992) has the molecular formula C32H32F5N3O4S and a molecular weight of 649.68 g/mol. Its IUPAC name is 1'-acetyl-4-fluoro-1-(4-fluorophenyl)sulfonyl-2-propan-2-yl-N-[[2-(trifluoromethyl)phenyl]methyl]spiro[2H-indole-3,4'-piperidine]-5-carboxamide.

Molecular Properties

Compound Name1'-acetyl-4-fluoro-1-(4-fluorophenyl)sulfonyl-2-propan-2-yl-N-[[2-(trifluoromethyl)phenyl]methyl]spiro[2H-indole-3,4'-piperidine]-5-carboxamide
PubChem CID144864992
Molecular FormulaC32H32F5N3O4S
Molecular Weight649.68 g/mol
Exact Mass649.20
IUPAC Name1'-acetyl-4-fluoro-1-(4-fluorophenyl)sulfonyl-2-propan-2-yl-N-[[2-(trifluoromethyl)phenyl]methyl]spiro[2H-indole-3,4'-piperidine]-5-carboxamide
SMILESCC(=O)N1CCC2(CC1)c1c(ccc(C(=O)NCc3ccccc3C(F)(F)F)c1F)N(S(=O)(=O)c1ccc(F)cc1)C2C(C)C
InChIInChI=1S/C32H32F5N3O4S/c1-19(2)29-31(14-16-39(17-15-31)20(3)41)27-26(40(29)45(43,44)23-10-8-22(33)9-11-23)13-12-24(28(27)34)30(42)38-18-21-6-4-5-7-25(21)32(35,36)37/h4-13,19,29H,14-18H2,1-3H3,(H,38,42)
InChIKeyHYNDNKZYWYAUIB-UHFFFAOYSA-N
XLogP6.03
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500649.68
LogP ≤ 56.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1'-acetyl-4-fluoro-1-(4-fluorophenyl)sulfonyl-2-propan-2-yl-N-[[2-(trifluoromethyl)phenyl]methyl]spiro[2H-indole-3,4'-piperidine]-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1'-acetyl-4-fluoro-1-(4-fluorophenyl)sulfonyl-2-propan-2-yl-N-[[2-(trifluoromethyl)phenyl]methyl]spiro[2H-indole-3,4'-piperidine]-5-carboxamide?
The IUPAC name of 1'-acetyl-4-fluoro-1-(4-fluorophenyl)sulfonyl-2-propan-2-yl-N-[[2-(trifluoromethyl)phenyl]methyl]spiro[2H-indole-3,4'-piperidine]-5-carboxamide (CID 144864992) is 1'-acetyl-4-fluoro-1-(4-fluorophenyl)sulfonyl-2-propan-2-yl-N-[[2-(trifluoromethyl)phenyl]methyl]spiro[2H-indole-3,4'-piperidine]-5-carboxamide.
What is the SMILES notation for 1'-acetyl-4-fluoro-1-(4-fluorophenyl)sulfonyl-2-propan-2-yl-N-[[2-(trifluoromethyl)phenyl]methyl]spiro[2H-indole-3,4'-piperidine]-5-carboxamide?
The canonical SMILES for 1'-acetyl-4-fluoro-1-(4-fluorophenyl)sulfonyl-2-propan-2-yl-N-[[2-(trifluoromethyl)phenyl]methyl]spiro[2H-indole-3,4'-piperidine]-5-carboxamide is CC(=O)N1CCC2(CC1)c1c(ccc(C(=O)NCc3ccccc3C(F)(F)F)c1F)N(S(=O)(=O)c1ccc(F)cc1)C2C(C)C.
What is the InChIKey of 1'-acetyl-4-fluoro-1-(4-fluorophenyl)sulfonyl-2-propan-2-yl-N-[[2-(trifluoromethyl)phenyl]methyl]spiro[2H-indole-3,4'-piperidine]-5-carboxamide?
The InChIKey is HYNDNKZYWYAUIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32F5N3O4S/c1-19(2)29-31(14-16-39(17-15-31)20(3)41)27-26(40(29)45(43,44)23-10-8-22(33)9-11-23)13-12-24(28(27)34)30(42)38-18-21-6-4-5-7-25(21)32(35,36)37/h4-13,19,29H,14-18H2,1-3H3,(H,38,42).
What are the key properties of 1'-acetyl-4-fluoro-1-(4-fluorophenyl)sulfonyl-2-propan-2-yl-N-[[2-(trifluoromethyl)phenyl]methyl]spiro[2H-indole-3,4'-piperidine]-5-carboxamide?
1'-acetyl-4-fluoro-1-(4-fluorophenyl)sulfonyl-2-propan-2-yl-N-[[2-(trifluoromethyl)phenyl]methyl]spiro[2H-indole-3,4'-piperidine]-5-carboxamide has a molecular weight of 649.68 g/mol, XLogP of 6.03, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-acetyl-4-fluoro-1-(4-fluorophenyl)sulfonyl-2-propan-2-yl-N-[[2-(trifluoromethyl)phenyl]methyl]spiro[2H-indole-3,4'-piperidine]-5-carboxamide is sourced from PubChem (CID 144864992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).