4-(benzylamino)-3-methyl-5-(spiro[2H-1-benzofuran-3,4'-piperidine]-1'-carbonyl)pyridine-2-sulfonamide

C26H28N4O4S — CID 118412394

IUPAC4-(benzylamino)-3-methyl-5-(spiro[2H-1-benzofuran-3,4'-piperidine]-1'-carbonyl)pyridine-2-sulfonamide
SMILESCc1c(S(N)(=O)=O)ncc(C(=O)N2CCC3(CC2)COc2ccccc23)c1NCc1ccccc1
InChIInChI=1S/C26H28N4O4S/c1-18-23(28-15-19-7-3-2-4-8-19)20(16-29-24(18)35(27,32)33)25(31)30-13-11-26(12-14-30)17-34-22-10-6-5-9-21(22)26/h2-10,16H,11-15,17H2,1H3,(H,28,29)(H2,27,32,33)
InChIKeySYXZAKLDZWSKCD-UHFFFAOYSA-N
MW492.60 g/mol
LogP3.22
Rot. Bonds5

About 4-(benzylamino)-3-methyl-5-(spiro[2H-1-benzofuran-3,4'-piperidine]-1'-carbonyl)pyridine-2-sulfonamide

4-(benzylamino)-3-methyl-5-(spiro[2H-1-benzofuran-3,4'-piperidine]-1'-carbonyl)pyridine-2-sulfonamide (PubChem CID 118412394) has the molecular formula C26H28N4O4S and a molecular weight of 492.60 g/mol. Its IUPAC name is 4-(benzylamino)-3-methyl-5-(spiro[2H-1-benzofuran-3,4'-piperidine]-1'-carbonyl)pyridine-2-sulfonamide.

Molecular Properties

Compound Name4-(benzylamino)-3-methyl-5-(spiro[2H-1-benzofuran-3,4'-piperidine]-1'-carbonyl)pyridine-2-sulfonamide
PubChem CID118412394
Molecular FormulaC26H28N4O4S
Molecular Weight492.60 g/mol
Exact Mass492.18
IUPAC Name4-(benzylamino)-3-methyl-5-(spiro[2H-1-benzofuran-3,4'-piperidine]-1'-carbonyl)pyridine-2-sulfonamide
SMILESCc1c(S(N)(=O)=O)ncc(C(=O)N2CCC3(CC2)COc2ccccc23)c1NCc1ccccc1
InChIInChI=1S/C26H28N4O4S/c1-18-23(28-15-19-7-3-2-4-8-19)20(16-29-24(18)35(27,32)33)25(31)30-13-11-26(12-14-30)17-34-22-10-6-5-9-21(22)26/h2-10,16H,11-15,17H2,1H3,(H,28,29)(H2,27,32,33)
InChIKeySYXZAKLDZWSKCD-UHFFFAOYSA-N
XLogP3.22
TPSA114.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.60
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

7-(benzylamino)-6-(spiro[2H-1-benzofuran-3,4'-piperidine]-1'-carbonyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 67541071
[7-(benzylamino)-3-bromopyrazolo[1,5-a]pyrimidin-6-yl]-(6-fluorospiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl)methanone
CID 67541404
N-ethylsulfonyl-7-(2-methylanilino)-6-(spiro[2H-1-benzofuran-3,4'-piperidine]-1'-carbonyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 67541203
N-(5-chloro-2-pyridinyl)-2-oxo-2-spiro[2H-1-benzofuran-3,4'-piperidine]-1'-ylacetamide
CID 139295389
1H-indol-3-yl(spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl)methanone
CID 15952131
4-(cyclohexylamino)-5-[4-(4-fluorophenyl)piperidine-1-carbonyl]-3-methylpyridine-2-sulfonamide
CID 118412361
N-ethylsulfonyl-6-(5-fluorospiro[2H-1-benzofuran-3,4'-piperidine]-1'-carbonyl)-7-(2-methylanilino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 67539456
[5-(aminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]-(5-phenylfuran-2-yl)methanone
CID 42623696
(6-methoxy-1H-indol-2-yl)-spiro[2H-1-benzofuran-3,4'-piperidine]-1'-ylmethanone
CID 59740550
7-(benzylamino)-6-(spiro[1H-2-benzofuran-3,4'-piperidine]-1'-carbonyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 67540087
[4-[(4-chlorophenyl)methylamino]quinolin-3-yl]-morpholin-4-ylmethanone
CID 53001489
[5-(benzylamino)-2-pyridinyl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 109188006

Frequently Asked Questions

What is the IUPAC name of 4-(benzylamino)-3-methyl-5-(spiro[2H-1-benzofuran-3,4'-piperidine]-1'-carbonyl)pyridine-2-sulfonamide?
The IUPAC name of 4-(benzylamino)-3-methyl-5-(spiro[2H-1-benzofuran-3,4'-piperidine]-1'-carbonyl)pyridine-2-sulfonamide (CID 118412394) is 4-(benzylamino)-3-methyl-5-(spiro[2H-1-benzofuran-3,4'-piperidine]-1'-carbonyl)pyridine-2-sulfonamide.
What is the SMILES notation for 4-(benzylamino)-3-methyl-5-(spiro[2H-1-benzofuran-3,4'-piperidine]-1'-carbonyl)pyridine-2-sulfonamide?
The canonical SMILES for 4-(benzylamino)-3-methyl-5-(spiro[2H-1-benzofuran-3,4'-piperidine]-1'-carbonyl)pyridine-2-sulfonamide is Cc1c(S(N)(=O)=O)ncc(C(=O)N2CCC3(CC2)COc2ccccc23)c1NCc1ccccc1.
What is the InChIKey of 4-(benzylamino)-3-methyl-5-(spiro[2H-1-benzofuran-3,4'-piperidine]-1'-carbonyl)pyridine-2-sulfonamide?
The InChIKey is SYXZAKLDZWSKCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O4S/c1-18-23(28-15-19-7-3-2-4-8-19)20(16-29-24(18)35(27,32)33)25(31)30-13-11-26(12-14-30)17-34-22-10-6-5-9-21(22)26/h2-10,16H,11-15,17H2,1H3,(H,28,29)(H2,27,32,33).
What are the key properties of 4-(benzylamino)-3-methyl-5-(spiro[2H-1-benzofuran-3,4'-piperidine]-1'-carbonyl)pyridine-2-sulfonamide?
4-(benzylamino)-3-methyl-5-(spiro[2H-1-benzofuran-3,4'-piperidine]-1'-carbonyl)pyridine-2-sulfonamide has a molecular weight of 492.60 g/mol, XLogP of 3.22, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzylamino)-3-methyl-5-(spiro[2H-1-benzofuran-3,4'-piperidine]-1'-carbonyl)pyridine-2-sulfonamide is sourced from PubChem (CID 118412394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).