N-(4-acetylphenyl)-1-methylsulfonylspiro[2H-indole-3,4'-piperidine]-1'-carboxamide;N-[4-(1-hydroxyethyl)phenyl]-1-methylsulfonylspiro[2H-indole-3,4'-piperidine]-1'-carboxamide

C44H52N6O8S2 — CID 161107271

IUPACN-(4-acetylphenyl)-1-methylsulfonylspiro[2H-indole-3,4'-piperidine]-1'-carboxamide;N-[4-(1-hydroxyethyl)phenyl]-1-methylsulfonylspiro[2H-indole-3,4'-piperidine]-1'-carboxamide
SMILESCC(=O)c1ccc(NC(=O)N2CCC3(CC2)CN(S(C)(=O)=O)c2ccccc23)cc1.CC(O)c1ccc(NC(=O)N2CCC3(CC2)CN(S(C)(=O)=O)c2ccccc23)cc1
InChIInChI=1S/C22H27N3O4S.C22H25N3O4S/c2*1-16(26)17-7-9-18(10-8-17)23-21(27)24-13-11-22(12-14-24)15-25(30(2,28)29)20-6-4-3-5-19(20)22/h3-10,16,26H,11-15H2,1-2H3,(H,23,27);3-10H,11-15H2,1-2H3,(H,23,27)
InChIKeyUJFKOQRJUUFDAN-UHFFFAOYSA-N
MW857.07 g/mol
LogP6.32
Rot. Bonds6

About N-(4-acetylphenyl)-1-methylsulfonylspiro[2H-indole-3,4'-piperidine]-1'-carboxamide;N-[4-(1-hydroxyethyl)phenyl]-1-methylsulfonylspiro[2H-indole-3,4'-piperidine]-1'-carboxamide

N-(4-acetylphenyl)-1-methylsulfonylspiro[2H-indole-3,4'-piperidine]-1'-carboxamide;N-[4-(1-hydroxyethyl)phenyl]-1-methylsulfonylspiro[2H-indole-3,4'-piperidine]-1'-carboxamide (PubChem CID 161107271) has the molecular formula C44H52N6O8S2 and a molecular weight of 857.07 g/mol. Its IUPAC name is N-(4-acetylphenyl)-1-methylsulfonylspiro[2H-indole-3,4'-piperidine]-1'-carboxamide;N-[4-(1-hydroxyethyl)phenyl]-1-methylsulfonylspiro[2H-indole-3,4'-piperidine]-1'-carboxamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-1-methylsulfonylspiro[2H-indole-3,4'-piperidine]-1'-carboxamide;N-[4-(1-hydroxyethyl)phenyl]-1-methylsulfonylspiro[2H-indole-3,4'-piperidine]-1'-carboxamide
PubChem CID161107271
Molecular FormulaC44H52N6O8S2
Molecular Weight857.07 g/mol
Exact Mass856.33
IUPAC NameN-(4-acetylphenyl)-1-methylsulfonylspiro[2H-indole-3,4'-piperidine]-1'-carboxamide;N-[4-(1-hydroxyethyl)phenyl]-1-methylsulfonylspiro[2H-indole-3,4'-piperidine]-1'-carboxamide
SMILESCC(=O)c1ccc(NC(=O)N2CCC3(CC2)CN(S(C)(=O)=O)c2ccccc23)cc1.CC(O)c1ccc(NC(=O)N2CCC3(CC2)CN(S(C)(=O)=O)c2ccccc23)cc1
InChIInChI=1S/C22H27N3O4S.C22H25N3O4S/c2*1-16(26)17-7-9-18(10-8-17)23-21(27)24-13-11-22(12-14-24)15-25(30(2,28)29)20-6-4-3-5-19(20)22/h3-10,16,26H,11-15H2,1-2H3,(H,23,27);3-10H,11-15H2,1-2H3,(H,23,27)
InChIKeyUJFKOQRJUUFDAN-UHFFFAOYSA-N
XLogP6.32
TPSA176.74 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500857.07
LogP ≤ 56.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze N-(4-acetylphenyl)-1-methylsulfonylspiro[2H-indole-3,4'-piperidine]-1'-carboxamide;N-[4-(1-hydroxyethyl)phenyl]-1-methylsulfonylspiro[2H-indole-3,4'-piperidine]-1'-carboxamide with MolForge

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Related Compounds

N-phenyl-1-sulfamoylspiro[2H-indole-3,4'-piperidine]-1'-carboxamide
CID 18005010
N-(4-phenoxyphenyl)-1-sulfamoylspiro[2H-indole-3,4'-piperidine]-1'-carboxamide
CID 18004920
1-methylsulfonyl-N-(2-phenylpyrimidin-4-yl)spiro[2H-indole-3,4'-piperidine]-1'-carboxamide
CID 44573575
1-methylsulfonyl-N-(5-phenyl-1H-pyrazol-3-yl)spiro[2H-indole-3,4'-piperidine]-1'-carboxamide
CID 45481798
1-methylsulfonyl-N-(1-phenylimidazol-4-yl)spiro[2H-indole-3,4'-piperidine]-1'-carboxamide
CID 45481807
N-[1-(2-fluorophenyl)imidazol-4-yl]-1-methylsulfonylspiro[2H-indole-3,4'-piperidine]-1'-carboxamide
CID 45481803
N-[1-(3-methoxyphenyl)imidazol-4-yl]-1-methylsulfonylspiro[2H-indole-3,4'-piperidine]-1'-carboxamide
CID 18005003
N-(4-acetylphenyl)-4-(2-propan-2-ylphenyl)piperazine-1-carboxamide
CID 113112277
(1-methylsulfonylspiro[2H-indole-3,4'-piperidine]-1'-yl)-pyridin-4-ylmethanone;2,2,2-trifluoroacetic acid
CID 118742354
N-(2,4-dimethoxyphenyl)-1-sulfamoylspiro[2H-indole-3,4'-piperidine]-1'-carboxamide
CID 18005000
N-[4-(1-hydroxyethyl)phenyl]-7,7-dimethyl-1,4-thiazepane-4-carboxamide
CID 107458389
N-[4-(1-hydroxyethyl)phenyl]-2,2-dimethylmorpholine-4-carboxamide
CID 61339795

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-1-methylsulfonylspiro[2H-indole-3,4'-piperidine]-1'-carboxamide;N-[4-(1-hydroxyethyl)phenyl]-1-methylsulfonylspiro[2H-indole-3,4'-piperidine]-1'-carboxamide?
The IUPAC name of N-(4-acetylphenyl)-1-methylsulfonylspiro[2H-indole-3,4'-piperidine]-1'-carboxamide;N-[4-(1-hydroxyethyl)phenyl]-1-methylsulfonylspiro[2H-indole-3,4'-piperidine]-1'-carboxamide (CID 161107271) is N-(4-acetylphenyl)-1-methylsulfonylspiro[2H-indole-3,4'-piperidine]-1'-carboxamide;N-[4-(1-hydroxyethyl)phenyl]-1-methylsulfonylspiro[2H-indole-3,4'-piperidine]-1'-carboxamide.
What is the SMILES notation for N-(4-acetylphenyl)-1-methylsulfonylspiro[2H-indole-3,4'-piperidine]-1'-carboxamide;N-[4-(1-hydroxyethyl)phenyl]-1-methylsulfonylspiro[2H-indole-3,4'-piperidine]-1'-carboxamide?
The canonical SMILES for N-(4-acetylphenyl)-1-methylsulfonylspiro[2H-indole-3,4'-piperidine]-1'-carboxamide;N-[4-(1-hydroxyethyl)phenyl]-1-methylsulfonylspiro[2H-indole-3,4'-piperidine]-1'-carboxamide is CC(=O)c1ccc(NC(=O)N2CCC3(CC2)CN(S(C)(=O)=O)c2ccccc23)cc1.CC(O)c1ccc(NC(=O)N2CCC3(CC2)CN(S(C)(=O)=O)c2ccccc23)cc1.
What is the InChIKey of N-(4-acetylphenyl)-1-methylsulfonylspiro[2H-indole-3,4'-piperidine]-1'-carboxamide;N-[4-(1-hydroxyethyl)phenyl]-1-methylsulfonylspiro[2H-indole-3,4'-piperidine]-1'-carboxamide?
The InChIKey is UJFKOQRJUUFDAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O4S.C22H25N3O4S/c2*1-16(26)17-7-9-18(10-8-17)23-21(27)24-13-11-22(12-14-24)15-25(30(2,28)29)20-6-4-3-5-19(20)22/h3-10,16,26H,11-15H2,1-2H3,(H,23,27);3-10H,11-15H2,1-2H3,(H,23,27).
What are the key properties of N-(4-acetylphenyl)-1-methylsulfonylspiro[2H-indole-3,4'-piperidine]-1'-carboxamide;N-[4-(1-hydroxyethyl)phenyl]-1-methylsulfonylspiro[2H-indole-3,4'-piperidine]-1'-carboxamide?
N-(4-acetylphenyl)-1-methylsulfonylspiro[2H-indole-3,4'-piperidine]-1'-carboxamide;N-[4-(1-hydroxyethyl)phenyl]-1-methylsulfonylspiro[2H-indole-3,4'-piperidine]-1'-carboxamide has a molecular weight of 857.07 g/mol, XLogP of 6.32, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-1-methylsulfonylspiro[2H-indole-3,4'-piperidine]-1'-carboxamide;N-[4-(1-hydroxyethyl)phenyl]-1-methylsulfonylspiro[2H-indole-3,4'-piperidine]-1'-carboxamide is sourced from PubChem (CID 161107271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).