2-[2-(1-methylpiperidin-4-yl)oxyphenyl]-N-[4-(2-oxo-4-pyridin-3-ylbutyl)phenyl]benzenesulfonamide

C33H35N3O4S — CID 157458325

IUPAC2-[2-(1-methylpiperidin-4-yl)oxyphenyl]-N-[4-(2-oxo-4-pyridin-3-ylbutyl)phenyl]benzenesulfonamide
SMILESCN1CCC(Oc2ccccc2-c2ccccc2S(=O)(=O)Nc2ccc(CC(=O)CCc3cccnc3)cc2)CC1
InChIInChI=1S/C33H35N3O4S/c1-36-21-18-29(19-22-36)40-32-10-4-2-8-30(32)31-9-3-5-11-33(31)41(38,39)35-27-15-12-25(13-16-27)23-28(37)17-14-26-7-6-20-34-24-26/h2-13,15-16,20,24,29,35H,14,17-19,21-23H2,1H3
InChIKeyBTPXHQFGPXSEIE-UHFFFAOYSA-N
MW569.73 g/mol
LogP5.77
Rot. Bonds11

About 2-[2-(1-methylpiperidin-4-yl)oxyphenyl]-N-[4-(2-oxo-4-pyridin-3-ylbutyl)phenyl]benzenesulfonamide

2-[2-(1-methylpiperidin-4-yl)oxyphenyl]-N-[4-(2-oxo-4-pyridin-3-ylbutyl)phenyl]benzenesulfonamide (PubChem CID 157458325) has the molecular formula C33H35N3O4S and a molecular weight of 569.73 g/mol. Its IUPAC name is 2-[2-(1-methylpiperidin-4-yl)oxyphenyl]-N-[4-(2-oxo-4-pyridin-3-ylbutyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name2-[2-(1-methylpiperidin-4-yl)oxyphenyl]-N-[4-(2-oxo-4-pyridin-3-ylbutyl)phenyl]benzenesulfonamide
PubChem CID157458325
Molecular FormulaC33H35N3O4S
Molecular Weight569.73 g/mol
Exact Mass569.23
IUPAC Name2-[2-(1-methylpiperidin-4-yl)oxyphenyl]-N-[4-(2-oxo-4-pyridin-3-ylbutyl)phenyl]benzenesulfonamide
SMILESCN1CCC(Oc2ccccc2-c2ccccc2S(=O)(=O)Nc2ccc(CC(=O)CCc3cccnc3)cc2)CC1
InChIInChI=1S/C33H35N3O4S/c1-36-21-18-29(19-22-36)40-32-10-4-2-8-30(32)31-9-3-5-11-33(31)41(38,39)35-27-15-12-25(13-16-27)23-28(37)17-14-26-7-6-20-34-24-26/h2-13,15-16,20,24,29,35H,14,17-19,21-23H2,1H3
InChIKeyBTPXHQFGPXSEIE-UHFFFAOYSA-N
XLogP5.77
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500569.73
LogP ≤ 55.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[2-(1-methylpiperidin-4-yl)oxyphenyl]-N-[4-(2-oxo-4-pyridin-3-ylbutyl)phenyl]benzenesulfonamide with MolForge

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Related Compounds

N-[4-(2-oxo-4-pyridin-3-ylbutyl)phenyl]methanesulfonamide
CID 158830011
5-chloro-2-methoxy-N-[4-(2-oxo-4-pyridin-3-ylbutyl)phenyl]benzenesulfonamide
CID 147240975
N-[4-(2-oxo-4-pyridin-3-ylbutyl)phenyl]-1-phenylmethanesulfonamide
CID 147985975
1-[4-[[2-(4-methylsulfonylphenyl)phenoxy]methyl]phenyl]-4-pyridin-3-ylbutan-2-one
CID 147923950
4-(3-methylbutanoyl)-N-[4-(2-oxo-4-pyridin-3-ylbutyl)phenyl]benzenesulfonamide
CID 158304763
N-cyclohexyl-3-[[4-(2-oxo-4-pyridin-3-ylbutyl)phenyl]sulfamoyl]benzamide
CID 149385041
N-[2-[(2S)-2-hydroxypropoxy]phenyl]-4-(2-oxo-4-pyridin-3-ylbutyl)benzenesulfonamide
CID 165042728
4-(2-oxo-4-pyridin-3-ylbutyl)-N-(2-pyrrolidin-1-ylphenyl)benzenesulfonamide
CID 158464067
2,3-dimethyl-4-oxo-N-[4-(2-oxo-4-pyridin-3-ylbutyl)phenyl]quinazoline-6-sulfonamide
CID 159742986
N-[4-[4-(6-amino-3-pyridinyl)-2-oxobutyl]phenyl]-2-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-(trifluoromethyl)benzenesulfonamide
CID 157427631
N-methyl-N-[4-(2-oxo-4-pyridin-3-ylbutyl)phenyl]-2-phenylbenzenesulfonamide
CID 153188468
1-[4-[(2-chlorophenoxy)methyl]phenyl]-4-pyridin-3-ylbutan-2-one
CID 147492426

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-methylpiperidin-4-yl)oxyphenyl]-N-[4-(2-oxo-4-pyridin-3-ylbutyl)phenyl]benzenesulfonamide?
The IUPAC name of 2-[2-(1-methylpiperidin-4-yl)oxyphenyl]-N-[4-(2-oxo-4-pyridin-3-ylbutyl)phenyl]benzenesulfonamide (CID 157458325) is 2-[2-(1-methylpiperidin-4-yl)oxyphenyl]-N-[4-(2-oxo-4-pyridin-3-ylbutyl)phenyl]benzenesulfonamide.
What is the SMILES notation for 2-[2-(1-methylpiperidin-4-yl)oxyphenyl]-N-[4-(2-oxo-4-pyridin-3-ylbutyl)phenyl]benzenesulfonamide?
The canonical SMILES for 2-[2-(1-methylpiperidin-4-yl)oxyphenyl]-N-[4-(2-oxo-4-pyridin-3-ylbutyl)phenyl]benzenesulfonamide is CN1CCC(Oc2ccccc2-c2ccccc2S(=O)(=O)Nc2ccc(CC(=O)CCc3cccnc3)cc2)CC1.
What is the InChIKey of 2-[2-(1-methylpiperidin-4-yl)oxyphenyl]-N-[4-(2-oxo-4-pyridin-3-ylbutyl)phenyl]benzenesulfonamide?
The InChIKey is BTPXHQFGPXSEIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H35N3O4S/c1-36-21-18-29(19-22-36)40-32-10-4-2-8-30(32)31-9-3-5-11-33(31)41(38,39)35-27-15-12-25(13-16-27)23-28(37)17-14-26-7-6-20-34-24-26/h2-13,15-16,20,24,29,35H,14,17-19,21-23H2,1H3.
What are the key properties of 2-[2-(1-methylpiperidin-4-yl)oxyphenyl]-N-[4-(2-oxo-4-pyridin-3-ylbutyl)phenyl]benzenesulfonamide?
2-[2-(1-methylpiperidin-4-yl)oxyphenyl]-N-[4-(2-oxo-4-pyridin-3-ylbutyl)phenyl]benzenesulfonamide has a molecular weight of 569.73 g/mol, XLogP of 5.77, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-methylpiperidin-4-yl)oxyphenyl]-N-[4-(2-oxo-4-pyridin-3-ylbutyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 157458325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).