N-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide

C25H33N3O5S — CID 30747930

IUPACN-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1ccc(OC)c(NC(=O)C2CCN(C(=O)C(C)C)CC2)c1
InChIInChI=1S/C25H33N3O5S/c1-5-28(20-9-7-6-8-10-20)34(31,32)21-11-12-23(33-4)22(17-21)26-24(29)19-13-15-27(16-14-19)25(30)18(2)3/h6-12,17-19H,5,13-16H2,1-4H3,(H,26,29)
InChIKeyXYIVTHOQCHBAMK-UHFFFAOYSA-N
MW487.62 g/mol
LogP3.74
Rot. Bonds8

About N-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide

N-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide (PubChem CID 30747930) has the molecular formula C25H33N3O5S and a molecular weight of 487.62 g/mol. Its IUPAC name is N-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide
PubChem CID30747930
Molecular FormulaC25H33N3O5S
Molecular Weight487.62 g/mol
Exact Mass487.21
IUPAC NameN-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1ccc(OC)c(NC(=O)C2CCN(C(=O)C(C)C)CC2)c1
InChIInChI=1S/C25H33N3O5S/c1-5-28(20-9-7-6-8-10-20)34(31,32)21-11-12-23(33-4)22(17-21)26-24(29)19-13-15-27(16-14-19)25(30)18(2)3/h6-12,17-19H,5,13-16H2,1-4H3,(H,26,29)
InChIKeyXYIVTHOQCHBAMK-UHFFFAOYSA-N
XLogP3.74
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.62
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

cis-(1S,2R)-N-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]-2-methylcyclopropane-1-carboxamide
CID 129421663
(3S)-1-cyclopropyl-N-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]-5-oxopyrrolidine-3-carboxamide
CID 26008131
N-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]-2-piperidin-1-ylacetamide
CID 4826047
1-cyclohexyl-3-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]urea
CID 4553215
2-[4-(4-bromo-3-methylphenyl)piperidin-1-yl]-N-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]-2-oxoacetamide
CID 166352475
3-[[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]amino]-N-ethyl-4-methoxy-N-phenylbenzenesulfonamide
CID 4881999
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-1-(3-fluorobenzoyl)piperidine-4-carboxamide
CID 17223739
1-N,1-N-diethyl-4-N-(2-methoxyphenyl)piperidine-1,4-dicarboxamide
CID 56922674
N-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]naphthalene-1-carboxamide
CID 4801217
N-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]-6-methylpyridine-2-carboxamide
CID 31912749
4,5-dichloro-N-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]-1-methylpyrrole-2-carboxamide
CID 55600473
2-(1,4-dioxo-3H-phthalazin-2-yl)-N-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]acetamide
CID 4833486

Frequently Asked Questions

What is the IUPAC name of N-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide?
The IUPAC name of N-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide (CID 30747930) is N-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide?
The canonical SMILES for N-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide is CCN(c1ccccc1)S(=O)(=O)c1ccc(OC)c(NC(=O)C2CCN(C(=O)C(C)C)CC2)c1.
What is the InChIKey of N-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide?
The InChIKey is XYIVTHOQCHBAMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3O5S/c1-5-28(20-9-7-6-8-10-20)34(31,32)21-11-12-23(33-4)22(17-21)26-24(29)19-13-15-27(16-14-19)25(30)18(2)3/h6-12,17-19H,5,13-16H2,1-4H3,(H,26,29).
What are the key properties of N-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide?
N-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide has a molecular weight of 487.62 g/mol, XLogP of 3.74, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide is sourced from PubChem (CID 30747930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).