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

C27H27FN4O5S — CID 118179229

IUPACN-[1'-acetyl-2-cyclopropyl-1-(4-fluorophenyl)sulfonylspiro[2H-indole-3,4'-piperidine]-5-yl]-1,3-oxazole-4-carboxamide
SMILESCC(=O)N1CCC2(CC1)c1cc(NC(=O)c3cocn3)ccc1N(S(=O)(=O)c1ccc(F)cc1)C2C1CC1
InChIInChI=1S/C27H27FN4O5S/c1-17(33)31-12-10-27(11-13-31)22-14-20(30-26(34)23-15-37-16-29-23)6-9-24(22)32(25(27)18-2-3-18)38(35,36)21-7-4-19(28)5-8-21/h4-9,14-16,18,25H,2-3,10-13H2,1H3,(H,30,34)
InChIKeyBCWCOIYGCCSFKW-UHFFFAOYSA-N
MW538.60 g/mol
LogP3.93
Rot. Bonds5

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

N-[1'-acetyl-2-cyclopropyl-1-(4-fluorophenyl)sulfonylspiro[2H-indole-3,4'-piperidine]-5-yl]-1,3-oxazole-4-carboxamide (PubChem CID 118179229) has the molecular formula C27H27FN4O5S and a molecular weight of 538.60 g/mol. Its IUPAC name is N-[1'-acetyl-2-cyclopropyl-1-(4-fluorophenyl)sulfonylspiro[2H-indole-3,4'-piperidine]-5-yl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[1'-acetyl-2-cyclopropyl-1-(4-fluorophenyl)sulfonylspiro[2H-indole-3,4'-piperidine]-5-yl]-1,3-oxazole-4-carboxamide
PubChem CID118179229
Molecular FormulaC27H27FN4O5S
Molecular Weight538.60 g/mol
Exact Mass538.17
IUPAC NameN-[1'-acetyl-2-cyclopropyl-1-(4-fluorophenyl)sulfonylspiro[2H-indole-3,4'-piperidine]-5-yl]-1,3-oxazole-4-carboxamide
SMILESCC(=O)N1CCC2(CC1)c1cc(NC(=O)c3cocn3)ccc1N(S(=O)(=O)c1ccc(F)cc1)C2C1CC1
InChIInChI=1S/C27H27FN4O5S/c1-17(33)31-12-10-27(11-13-31)22-14-20(30-26(34)23-15-37-16-29-23)6-9-24(22)32(25(27)18-2-3-18)38(35,36)21-7-4-19(28)5-8-21/h4-9,14-16,18,25H,2-3,10-13H2,1H3,(H,30,34)
InChIKeyBCWCOIYGCCSFKW-UHFFFAOYSA-N
XLogP3.93
TPSA112.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500538.60
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[1'-acetyl-2-cyclopropyl-1-(4-fluorophenyl)sulfonylspiro[2H-indole-3,4'-piperidine]-5-yl]-1,3-oxazole-4-carboxamide 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]-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[1'-acetyl-2-cyclopropyl-1-(4-fluorophenyl)sulfonylspiro[2H-indole-3,4'-piperidine]-5-yl]-1,3-oxazole-4-carboxamide (CID 118179229) is N-[1'-acetyl-2-cyclopropyl-1-(4-fluorophenyl)sulfonylspiro[2H-indole-3,4'-piperidine]-5-yl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[1'-acetyl-2-cyclopropyl-1-(4-fluorophenyl)sulfonylspiro[2H-indole-3,4'-piperidine]-5-yl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[1'-acetyl-2-cyclopropyl-1-(4-fluorophenyl)sulfonylspiro[2H-indole-3,4'-piperidine]-5-yl]-1,3-oxazole-4-carboxamide is CC(=O)N1CCC2(CC1)c1cc(NC(=O)c3cocn3)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]-1,3-oxazole-4-carboxamide?
The InChIKey is BCWCOIYGCCSFKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27FN4O5S/c1-17(33)31-12-10-27(11-13-31)22-14-20(30-26(34)23-15-37-16-29-23)6-9-24(22)32(25(27)18-2-3-18)38(35,36)21-7-4-19(28)5-8-21/h4-9,14-16,18,25H,2-3,10-13H2,1H3,(H,30,34).
What are the key properties of N-[1'-acetyl-2-cyclopropyl-1-(4-fluorophenyl)sulfonylspiro[2H-indole-3,4'-piperidine]-5-yl]-1,3-oxazole-4-carboxamide?
N-[1'-acetyl-2-cyclopropyl-1-(4-fluorophenyl)sulfonylspiro[2H-indole-3,4'-piperidine]-5-yl]-1,3-oxazole-4-carboxamide has a molecular weight of 538.60 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 6 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]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 118179229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).