N-(2,4-dimethoxyphenyl)-1-sulfamoylspiro[2H-indole-3,4'-piperidine]-1'-carboxamide

C21H26N4O5S — CID 18005000

IUPACN-(2,4-dimethoxyphenyl)-1-sulfamoylspiro[2H-indole-3,4'-piperidine]-1'-carboxamide
SMILESCOc1ccc(NC(=O)N2CCC3(CC2)CN(S(N)(=O)=O)c2ccccc23)c(OC)c1
InChIInChI=1S/C21H26N4O5S/c1-29-15-7-8-17(19(13-15)30-2)23-20(26)24-11-9-21(10-12-24)14-25(31(22,27)28)18-6-4-3-5-16(18)21/h3-8,13H,9-12,14H2,1-2H3,(H,23,26)(H2,22,27,28)
InChIKeyHPTGKEOJUYZMPV-UHFFFAOYSA-N
MW446.53 g/mol
LogP2.29
Rot. Bonds4

About N-(2,4-dimethoxyphenyl)-1-sulfamoylspiro[2H-indole-3,4'-piperidine]-1'-carboxamide

N-(2,4-dimethoxyphenyl)-1-sulfamoylspiro[2H-indole-3,4'-piperidine]-1'-carboxamide (PubChem CID 18005000) has the molecular formula C21H26N4O5S and a molecular weight of 446.53 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-1-sulfamoylspiro[2H-indole-3,4'-piperidine]-1'-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-1-sulfamoylspiro[2H-indole-3,4'-piperidine]-1'-carboxamide
PubChem CID18005000
Molecular FormulaC21H26N4O5S
Molecular Weight446.53 g/mol
Exact Mass446.16
IUPAC NameN-(2,4-dimethoxyphenyl)-1-sulfamoylspiro[2H-indole-3,4'-piperidine]-1'-carboxamide
SMILESCOc1ccc(NC(=O)N2CCC3(CC2)CN(S(N)(=O)=O)c2ccccc23)c(OC)c1
InChIInChI=1S/C21H26N4O5S/c1-29-15-7-8-17(19(13-15)30-2)23-20(26)24-11-9-21(10-12-24)14-25(31(22,27)28)18-6-4-3-5-16(18)21/h3-8,13H,9-12,14H2,1-2H3,(H,23,26)(H2,22,27,28)
InChIKeyHPTGKEOJUYZMPV-UHFFFAOYSA-N
XLogP2.29
TPSA114.20 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.53
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-phenoxyphenyl)-1-sulfamoylspiro[2H-indole-3,4'-piperidine]-1'-carboxamide
CID 18004920
N-phenyl-1-sulfamoylspiro[2H-indole-3,4'-piperidine]-1'-carboxamide
CID 18005010
N-[1-(3-methoxyphenyl)imidazol-4-yl]-1-methylsulfonylspiro[2H-indole-3,4'-piperidine]-1'-carboxamide
CID 18005003
4-benzyl-N-(2,4-dimethoxyphenyl)-4-(hydroxymethyl)piperidine-1-carboxamide
CID 42415106
1-methylsulfonyl-N-(5-phenyl-1H-pyrazol-3-yl)spiro[2H-indole-3,4'-piperidine]-1'-carboxamide
CID 45481798
N-(2,4-dimethoxyphenyl)-4-(trifluoromethyl)piperidine-1-carboxamide
CID 71992851
N-(2,4-dimethoxyphenyl)-4-[(2-methylphenyl)methyl]piperazine-1-carboxamide
CID 6464385
4-(2,5-dimethoxyphenyl)-N-(2-methoxyphenyl)piperazine-1-carboxamide
CID 113113504
(3R)-N-(2-methoxyphenyl)-1-methyl-2-oxospiro[indole-3,3'-pyrrolidine]-1'-carboxamide
CID 95104057
1-methylsulfonyl-N-(2-phenylpyrimidin-4-yl)spiro[2H-indole-3,4'-piperidine]-1'-carboxamide
CID 44573575
N-(2,4-dimethoxyphenyl)-4-(2,4,6-trimethylphenyl)piperazine-1-carboxamide
CID 113112429
N-(2,4-dimethoxyphenyl)-4-(3-fluorophenyl)piperazine-1-carboxamide
CID 113114029

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-1-sulfamoylspiro[2H-indole-3,4'-piperidine]-1'-carboxamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-1-sulfamoylspiro[2H-indole-3,4'-piperidine]-1'-carboxamide (CID 18005000) is N-(2,4-dimethoxyphenyl)-1-sulfamoylspiro[2H-indole-3,4'-piperidine]-1'-carboxamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-1-sulfamoylspiro[2H-indole-3,4'-piperidine]-1'-carboxamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-1-sulfamoylspiro[2H-indole-3,4'-piperidine]-1'-carboxamide is COc1ccc(NC(=O)N2CCC3(CC2)CN(S(N)(=O)=O)c2ccccc23)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-1-sulfamoylspiro[2H-indole-3,4'-piperidine]-1'-carboxamide?
The InChIKey is HPTGKEOJUYZMPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O5S/c1-29-15-7-8-17(19(13-15)30-2)23-20(26)24-11-9-21(10-12-24)14-25(31(22,27)28)18-6-4-3-5-16(18)21/h3-8,13H,9-12,14H2,1-2H3,(H,23,26)(H2,22,27,28).
What are the key properties of N-(2,4-dimethoxyphenyl)-1-sulfamoylspiro[2H-indole-3,4'-piperidine]-1'-carboxamide?
N-(2,4-dimethoxyphenyl)-1-sulfamoylspiro[2H-indole-3,4'-piperidine]-1'-carboxamide has a molecular weight of 446.53 g/mol, XLogP of 2.29, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-1-sulfamoylspiro[2H-indole-3,4'-piperidine]-1'-carboxamide is sourced from PubChem (CID 18005000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).