N-[1'-acetyl-2-cyclopropyl-1-(4-fluorophenyl)sulfonylspiro[2H-indole-3,4'-piperidine]-5-yl]-3-fluorobenzamide

C30H29F2N3O4S — CID 118179218

IUPACN-[1'-acetyl-2-cyclopropyl-1-(4-fluorophenyl)sulfonylspiro[2H-indole-3,4'-piperidine]-5-yl]-3-fluorobenzamide
SMILESCC(=O)N1CCC2(CC1)c1cc(NC(=O)c3cccc(F)c3)ccc1N(S(=O)(=O)c1ccc(F)cc1)C2C1CC1
InChIInChI=1S/C30H29F2N3O4S/c1-19(36)34-15-13-30(14-16-34)26-18-24(33-29(37)21-3-2-4-23(32)17-21)9-12-27(26)35(28(30)20-5-6-20)40(38,39)25-10-7-22(31)8-11-25/h2-4,7-12,17-18,20,28H,5-6,13-16H2,1H3,(H,33,37)
InChIKeySNLRHKYGBNIMNQ-UHFFFAOYSA-N
MW565.64 g/mol
LogP5.08
Rot. Bonds5

About N-[1'-acetyl-2-cyclopropyl-1-(4-fluorophenyl)sulfonylspiro[2H-indole-3,4'-piperidine]-5-yl]-3-fluorobenzamide

N-[1'-acetyl-2-cyclopropyl-1-(4-fluorophenyl)sulfonylspiro[2H-indole-3,4'-piperidine]-5-yl]-3-fluorobenzamide (PubChem CID 118179218) has the molecular formula C30H29F2N3O4S and a molecular weight of 565.64 g/mol. Its IUPAC name is N-[1'-acetyl-2-cyclopropyl-1-(4-fluorophenyl)sulfonylspiro[2H-indole-3,4'-piperidine]-5-yl]-3-fluorobenzamide.

Molecular Properties

Compound NameN-[1'-acetyl-2-cyclopropyl-1-(4-fluorophenyl)sulfonylspiro[2H-indole-3,4'-piperidine]-5-yl]-3-fluorobenzamide
PubChem CID118179218
Molecular FormulaC30H29F2N3O4S
Molecular Weight565.64 g/mol
Exact Mass565.18
IUPAC NameN-[1'-acetyl-2-cyclopropyl-1-(4-fluorophenyl)sulfonylspiro[2H-indole-3,4'-piperidine]-5-yl]-3-fluorobenzamide
SMILESCC(=O)N1CCC2(CC1)c1cc(NC(=O)c3cccc(F)c3)ccc1N(S(=O)(=O)c1ccc(F)cc1)C2C1CC1
InChIInChI=1S/C30H29F2N3O4S/c1-19(36)34-15-13-30(14-16-34)26-18-24(33-29(37)21-3-2-4-23(32)17-21)9-12-27(26)35(28(30)20-5-6-20)40(38,39)25-10-7-22(31)8-11-25/h2-4,7-12,17-18,20,28H,5-6,13-16H2,1H3,(H,33,37)
InChIKeySNLRHKYGBNIMNQ-UHFFFAOYSA-N
XLogP5.08
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500565.64
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[1'-acetyl-2-cyclopropyl-1-(4-fluorophenyl)sulfonylspiro[2H-indole-3,4'-piperidine]-5-yl]-3-fluorobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1'-acetyl-2-cyclopropyl-1-(4-fluorophenyl)sulfonylspiro[2H-indole-3,4'-piperidine]-5-yl]-3-fluorobenzamide?
The IUPAC name of N-[1'-acetyl-2-cyclopropyl-1-(4-fluorophenyl)sulfonylspiro[2H-indole-3,4'-piperidine]-5-yl]-3-fluorobenzamide (CID 118179218) is N-[1'-acetyl-2-cyclopropyl-1-(4-fluorophenyl)sulfonylspiro[2H-indole-3,4'-piperidine]-5-yl]-3-fluorobenzamide.
What is the SMILES notation for N-[1'-acetyl-2-cyclopropyl-1-(4-fluorophenyl)sulfonylspiro[2H-indole-3,4'-piperidine]-5-yl]-3-fluorobenzamide?
The canonical SMILES for N-[1'-acetyl-2-cyclopropyl-1-(4-fluorophenyl)sulfonylspiro[2H-indole-3,4'-piperidine]-5-yl]-3-fluorobenzamide is CC(=O)N1CCC2(CC1)c1cc(NC(=O)c3cccc(F)c3)ccc1N(S(=O)(=O)c1ccc(F)cc1)C2C1CC1.
What is the InChIKey of N-[1'-acetyl-2-cyclopropyl-1-(4-fluorophenyl)sulfonylspiro[2H-indole-3,4'-piperidine]-5-yl]-3-fluorobenzamide?
The InChIKey is SNLRHKYGBNIMNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29F2N3O4S/c1-19(36)34-15-13-30(14-16-34)26-18-24(33-29(37)21-3-2-4-23(32)17-21)9-12-27(26)35(28(30)20-5-6-20)40(38,39)25-10-7-22(31)8-11-25/h2-4,7-12,17-18,20,28H,5-6,13-16H2,1H3,(H,33,37).
What are the key properties of N-[1'-acetyl-2-cyclopropyl-1-(4-fluorophenyl)sulfonylspiro[2H-indole-3,4'-piperidine]-5-yl]-3-fluorobenzamide?
N-[1'-acetyl-2-cyclopropyl-1-(4-fluorophenyl)sulfonylspiro[2H-indole-3,4'-piperidine]-5-yl]-3-fluorobenzamide has a molecular weight of 565.64 g/mol, XLogP of 5.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1'-acetyl-2-cyclopropyl-1-(4-fluorophenyl)sulfonylspiro[2H-indole-3,4'-piperidine]-5-yl]-3-fluorobenzamide is sourced from PubChem (CID 118179218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).