N-[1-(3-methoxyphenyl)imidazol-4-yl]-1-methylsulfonylspiro[2H-indole-3,4'-piperidine]-1'-carboxamide

C24H27N5O4S — CID 18005003

IUPACN-[1-(3-methoxyphenyl)imidazol-4-yl]-1-methylsulfonylspiro[2H-indole-3,4'-piperidine]-1'-carboxamide
SMILESCOc1cccc(-n2cnc(NC(=O)N3CCC4(CC3)CN(S(C)(=O)=O)c3ccccc34)c2)c1
InChIInChI=1S/C24H27N5O4S/c1-33-19-7-5-6-18(14-19)28-15-22(25-17-28)26-23(30)27-12-10-24(11-13-27)16-29(34(2,31)32)21-9-4-3-8-20(21)24/h3-9,14-15,17H,10-13,16H2,1-2H3,(H,26,30)
InChIKeyXQKCDNRMPAXMGM-UHFFFAOYSA-N
MW481.58 g/mol
LogP3.23
Rot. Bonds4

About N-[1-(3-methoxyphenyl)imidazol-4-yl]-1-methylsulfonylspiro[2H-indole-3,4'-piperidine]-1'-carboxamide

N-[1-(3-methoxyphenyl)imidazol-4-yl]-1-methylsulfonylspiro[2H-indole-3,4'-piperidine]-1'-carboxamide (PubChem CID 18005003) has the molecular formula C24H27N5O4S and a molecular weight of 481.58 g/mol. Its IUPAC name is N-[1-(3-methoxyphenyl)imidazol-4-yl]-1-methylsulfonylspiro[2H-indole-3,4'-piperidine]-1'-carboxamide.

Molecular Properties

Compound NameN-[1-(3-methoxyphenyl)imidazol-4-yl]-1-methylsulfonylspiro[2H-indole-3,4'-piperidine]-1'-carboxamide
PubChem CID18005003
Molecular FormulaC24H27N5O4S
Molecular Weight481.58 g/mol
Exact Mass481.18
IUPAC NameN-[1-(3-methoxyphenyl)imidazol-4-yl]-1-methylsulfonylspiro[2H-indole-3,4'-piperidine]-1'-carboxamide
SMILESCOc1cccc(-n2cnc(NC(=O)N3CCC4(CC3)CN(S(C)(=O)=O)c3ccccc34)c2)c1
InChIInChI=1S/C24H27N5O4S/c1-33-19-7-5-6-18(14-19)28-15-22(25-17-28)26-23(30)27-12-10-24(11-13-27)16-29(34(2,31)32)21-9-4-3-8-20(21)24/h3-9,14-15,17H,10-13,16H2,1-2H3,(H,26,30)
InChIKeyXQKCDNRMPAXMGM-UHFFFAOYSA-N
XLogP3.23
TPSA96.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.58
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(2-fluorophenyl)imidazol-4-yl]-1-methylsulfonylspiro[2H-indole-3,4'-piperidine]-1'-carboxamide
CID 45481803
1-methylsulfonyl-N-(5-phenyl-1H-pyrazol-3-yl)spiro[2H-indole-3,4'-piperidine]-1'-carboxamide
CID 45481798
1-methylsulfonyl-N-(2-phenylpyrimidin-4-yl)spiro[2H-indole-3,4'-piperidine]-1'-carboxamide
CID 44573575
N-(2,4-dimethoxyphenyl)-1-sulfamoylspiro[2H-indole-3,4'-piperidine]-1'-carboxamide
CID 18005000
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-(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
(5-methoxypyrimidin-2-yl)-(1-phenylspiro[2H-indole-3,4'-piperidine]-1'-yl)methanone
CID 155870777
(1-methylsulfonylspiro[2H-indole-3,4'-piperidine]-1'-yl)-pyridin-4-ylmethanone;2,2,2-trifluoroacetic acid
CID 118742354
5-fluoro-1-methylsulfonyl-N-[5-(1,3,4-thiadiazol-2-yl)pyrazin-2-yl]spiro[2H-indole-3,4'-piperidine]-1'-carboxamide
CID 18004975
2-[(2-aminoacetyl)amino]-2-methyl-N-[(2R)-1-(1-methylsulfonylspiro[2H-indole-3,4'-piperidine]-1'-yl)-1-oxo-3-phenoxypropan-2-yl]propanamide
CID 170343289
N-(6-methylquinolin-2-yl)-2-(1-methylsulfonylspiro[2H-indole-3,4'-piperidine]-1'-yl)acetamide
CID 10276613

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-methoxyphenyl)imidazol-4-yl]-1-methylsulfonylspiro[2H-indole-3,4'-piperidine]-1'-carboxamide?
The IUPAC name of N-[1-(3-methoxyphenyl)imidazol-4-yl]-1-methylsulfonylspiro[2H-indole-3,4'-piperidine]-1'-carboxamide (CID 18005003) is N-[1-(3-methoxyphenyl)imidazol-4-yl]-1-methylsulfonylspiro[2H-indole-3,4'-piperidine]-1'-carboxamide.
What is the SMILES notation for N-[1-(3-methoxyphenyl)imidazol-4-yl]-1-methylsulfonylspiro[2H-indole-3,4'-piperidine]-1'-carboxamide?
The canonical SMILES for N-[1-(3-methoxyphenyl)imidazol-4-yl]-1-methylsulfonylspiro[2H-indole-3,4'-piperidine]-1'-carboxamide is COc1cccc(-n2cnc(NC(=O)N3CCC4(CC3)CN(S(C)(=O)=O)c3ccccc34)c2)c1.
What is the InChIKey of N-[1-(3-methoxyphenyl)imidazol-4-yl]-1-methylsulfonylspiro[2H-indole-3,4'-piperidine]-1'-carboxamide?
The InChIKey is XQKCDNRMPAXMGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O4S/c1-33-19-7-5-6-18(14-19)28-15-22(25-17-28)26-23(30)27-12-10-24(11-13-27)16-29(34(2,31)32)21-9-4-3-8-20(21)24/h3-9,14-15,17H,10-13,16H2,1-2H3,(H,26,30).
What are the key properties of N-[1-(3-methoxyphenyl)imidazol-4-yl]-1-methylsulfonylspiro[2H-indole-3,4'-piperidine]-1'-carboxamide?
N-[1-(3-methoxyphenyl)imidazol-4-yl]-1-methylsulfonylspiro[2H-indole-3,4'-piperidine]-1'-carboxamide has a molecular weight of 481.58 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-methoxyphenyl)imidazol-4-yl]-1-methylsulfonylspiro[2H-indole-3,4'-piperidine]-1'-carboxamide is sourced from PubChem (CID 18005003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).