N-[[1-(3-bromo-4-ethoxy-5-methoxybenzoyl)piperidin-2-yl]methyl]methanesulfonamide

C17H25BrN2O5S — CID 43073259

IUPACN-[[1-(3-bromo-4-ethoxy-5-methoxybenzoyl)piperidin-2-yl]methyl]methanesulfonamide
SMILESCCOc1c(Br)cc(C(=O)N2CCCCC2CNS(C)(=O)=O)cc1OC
InChIInChI=1S/C17H25BrN2O5S/c1-4-25-16-14(18)9-12(10-15(16)24-2)17(21)20-8-6-5-7-13(20)11-19-26(3,22)23/h9-10,13,19H,4-8,11H2,1-3H3
InChIKeyLUDNZJNMLBIFQY-UHFFFAOYSA-N
MW449.37 g/mol
LogP2.40
Rot. Bonds7

About N-[[1-(3-bromo-4-ethoxy-5-methoxybenzoyl)piperidin-2-yl]methyl]methanesulfonamide

N-[[1-(3-bromo-4-ethoxy-5-methoxybenzoyl)piperidin-2-yl]methyl]methanesulfonamide (PubChem CID 43073259) has the molecular formula C17H25BrN2O5S and a molecular weight of 449.37 g/mol. Its IUPAC name is N-[[1-(3-bromo-4-ethoxy-5-methoxybenzoyl)piperidin-2-yl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[1-(3-bromo-4-ethoxy-5-methoxybenzoyl)piperidin-2-yl]methyl]methanesulfonamide
PubChem CID43073259
Molecular FormulaC17H25BrN2O5S
Molecular Weight449.37 g/mol
Exact Mass448.07
IUPAC NameN-[[1-(3-bromo-4-ethoxy-5-methoxybenzoyl)piperidin-2-yl]methyl]methanesulfonamide
SMILESCCOc1c(Br)cc(C(=O)N2CCCCC2CNS(C)(=O)=O)cc1OC
InChIInChI=1S/C17H25BrN2O5S/c1-4-25-16-14(18)9-12(10-15(16)24-2)17(21)20-8-6-5-7-13(20)11-19-26(3,22)23/h9-10,13,19H,4-8,11H2,1-3H3
InChIKeyLUDNZJNMLBIFQY-UHFFFAOYSA-N
XLogP2.40
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.37
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[1-(3-bromo-4-ethoxy-5-methoxybenzoyl)piperidin-2-yl]methyl]methanesulfonamide with MolForge

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Related Compounds

1-(3-bromo-4-ethoxy-5-methoxybenzoyl)piperidine-4-carboxylic acid
CID 45427057
(3-bromo-4-ethoxy-5-methoxyphenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119394773
[(3R)-3-aminopiperidin-1-yl]-(3-bromo-4-ethoxy-5-methoxyphenyl)methanone
CID 124623012
N-[[1-(5-bromopyridine-2-carbonyl)piperidin-2-yl]methyl]methanesulfonamide
CID 62953728
[1-(3-bromo-4-ethoxy-5-methoxybenzoyl)piperidin-4-yl]-phenylmethanone
CID 33362988
4-(3-bromo-4-ethoxy-5-methoxybenzoyl)-N,N-dimethylpiperazine-1-sulfonamide
CID 32500986
(3-bromo-4-ethoxy-5-methoxyphenyl)-(2,3-dimethylpiperazin-1-yl)methanone
CID 120573154
[4-(1-aminoethyl)piperidin-1-yl]-(3-bromo-4-ethoxy-5-methoxyphenyl)methanone;hydrochloride
CID 119516703
(3-bromo-4-ethoxy-5-methoxyphenyl)-piperazin-1-ylmethanone;hydrochloride
CID 119400084
N-[[1-(3-aminobenzoyl)piperidin-2-yl]methyl]methanesulfonamide
CID 60944716
methyl 2-[1-(3,5-dibromobenzoyl)piperidin-2-yl]acetate
CID 103908243
(3-bromo-4-ethoxy-5-methoxyphenyl)-(3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone
CID 119634884

Frequently Asked Questions

What is the IUPAC name of N-[[1-(3-bromo-4-ethoxy-5-methoxybenzoyl)piperidin-2-yl]methyl]methanesulfonamide?
The IUPAC name of N-[[1-(3-bromo-4-ethoxy-5-methoxybenzoyl)piperidin-2-yl]methyl]methanesulfonamide (CID 43073259) is N-[[1-(3-bromo-4-ethoxy-5-methoxybenzoyl)piperidin-2-yl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[1-(3-bromo-4-ethoxy-5-methoxybenzoyl)piperidin-2-yl]methyl]methanesulfonamide?
The canonical SMILES for N-[[1-(3-bromo-4-ethoxy-5-methoxybenzoyl)piperidin-2-yl]methyl]methanesulfonamide is CCOc1c(Br)cc(C(=O)N2CCCCC2CNS(C)(=O)=O)cc1OC.
What is the InChIKey of N-[[1-(3-bromo-4-ethoxy-5-methoxybenzoyl)piperidin-2-yl]methyl]methanesulfonamide?
The InChIKey is LUDNZJNMLBIFQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25BrN2O5S/c1-4-25-16-14(18)9-12(10-15(16)24-2)17(21)20-8-6-5-7-13(20)11-19-26(3,22)23/h9-10,13,19H,4-8,11H2,1-3H3.
What are the key properties of N-[[1-(3-bromo-4-ethoxy-5-methoxybenzoyl)piperidin-2-yl]methyl]methanesulfonamide?
N-[[1-(3-bromo-4-ethoxy-5-methoxybenzoyl)piperidin-2-yl]methyl]methanesulfonamide has a molecular weight of 449.37 g/mol, XLogP of 2.40, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3-bromo-4-ethoxy-5-methoxybenzoyl)piperidin-2-yl]methyl]methanesulfonamide is sourced from PubChem (CID 43073259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).