N-[(5-bromo-2-methoxyphenyl)methyl]-N-methyl-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide

C20H24BrN3O4S — CID 46437833

IUPACN-[(5-bromo-2-methoxyphenyl)methyl]-N-methyl-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
SMILESCOc1ccc(Br)cc1CN(C)C(=O)C1CCN(S(=O)(=O)c2cccnc2)CC1
InChIInChI=1S/C20H24BrN3O4S/c1-23(14-16-12-17(21)5-6-19(16)28-2)20(25)15-7-10-24(11-8-15)29(26,27)18-4-3-9-22-13-18/h3-6,9,12-13,15H,7-8,10-11,14H2,1-2H3
InChIKeyKHLZUKUSMWYHNG-UHFFFAOYSA-N
MW482.40 g/mol
LogP2.91
Rot. Bonds6

About N-[(5-bromo-2-methoxyphenyl)methyl]-N-methyl-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide

N-[(5-bromo-2-methoxyphenyl)methyl]-N-methyl-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide (PubChem CID 46437833) has the molecular formula C20H24BrN3O4S and a molecular weight of 482.40 g/mol. Its IUPAC name is N-[(5-bromo-2-methoxyphenyl)methyl]-N-methyl-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(5-bromo-2-methoxyphenyl)methyl]-N-methyl-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
PubChem CID46437833
Molecular FormulaC20H24BrN3O4S
Molecular Weight482.40 g/mol
Exact Mass481.07
IUPAC NameN-[(5-bromo-2-methoxyphenyl)methyl]-N-methyl-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
SMILESCOc1ccc(Br)cc1CN(C)C(=O)C1CCN(S(=O)(=O)c2cccnc2)CC1
InChIInChI=1S/C20H24BrN3O4S/c1-23(14-16-12-17(21)5-6-19(16)28-2)20(25)15-7-10-24(11-8-15)29(26,27)18-4-3-9-22-13-18/h3-6,9,12-13,15H,7-8,10-11,14H2,1-2H3
InChIKeyKHLZUKUSMWYHNG-UHFFFAOYSA-N
XLogP2.91
TPSA79.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.40
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-ethoxyphenyl)methyl]-N-methyl-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 55861405
N-(cyclohexylmethyl)-N-methyl-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 46409150
1-(benzenesulfonyl)-N-[(3,4-dimethoxyphenyl)methyl]-N-methylpiperidine-4-carboxamide
CID 26594400
1-(4-chlorophenyl)sulfonyl-N-[(2-methoxyphenyl)methyl]-N-methylpiperidine-4-carboxamide
CID 27824459
N-[(5-bromo-2-fluorophenyl)methyl]-1-(2-fluorophenyl)sulfonyl-N-methylpiperidine-4-carboxamide
CID 55580678
N-(2-methoxy-5-methylphenyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 20851619
N-(3-chloro-4-methoxyphenyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 5309136
N-benzyl-N-ethyl-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 46438676
N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 55671038
1-(3,4-dimethoxyphenyl)sulfonyl-N-methyl-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 30856966
N-[(3,4-dimethoxyphenyl)methyl]-1-(4-methoxyphenyl)sulfonyl-N-methylpiperidine-4-carboxamide
CID 26594403
1-[(4-bromophenyl)methylsulfonyl]-N-[(3,4-dimethoxyphenyl)methyl]-N-methylpiperidine-4-carboxamide
CID 38020175

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-methoxyphenyl)methyl]-N-methyl-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-[(5-bromo-2-methoxyphenyl)methyl]-N-methyl-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide (CID 46437833) is N-[(5-bromo-2-methoxyphenyl)methyl]-N-methyl-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-[(5-bromo-2-methoxyphenyl)methyl]-N-methyl-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-[(5-bromo-2-methoxyphenyl)methyl]-N-methyl-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide is COc1ccc(Br)cc1CN(C)C(=O)C1CCN(S(=O)(=O)c2cccnc2)CC1.
What is the InChIKey of N-[(5-bromo-2-methoxyphenyl)methyl]-N-methyl-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide?
The InChIKey is KHLZUKUSMWYHNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24BrN3O4S/c1-23(14-16-12-17(21)5-6-19(16)28-2)20(25)15-7-10-24(11-8-15)29(26,27)18-4-3-9-22-13-18/h3-6,9,12-13,15H,7-8,10-11,14H2,1-2H3.
What are the key properties of N-[(5-bromo-2-methoxyphenyl)methyl]-N-methyl-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide?
N-[(5-bromo-2-methoxyphenyl)methyl]-N-methyl-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide has a molecular weight of 482.40 g/mol, XLogP of 2.91, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-methoxyphenyl)methyl]-N-methyl-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 46437833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).