N-benzyl-N-ethyl-2-[4-[(4-methylphenyl)sulfonylamino]piperidin-1-yl]benzamide

C28H33N3O3S — CID 46038773

IUPACN-benzyl-N-ethyl-2-[4-[(4-methylphenyl)sulfonylamino]piperidin-1-yl]benzamide
SMILESCCN(Cc1ccccc1)C(=O)c1ccccc1N1CCC(NS(=O)(=O)c2ccc(C)cc2)CC1
InChIInChI=1S/C28H33N3O3S/c1-3-30(21-23-9-5-4-6-10-23)28(32)26-11-7-8-12-27(26)31-19-17-24(18-20-31)29-35(33,34)25-15-13-22(2)14-16-25/h4-16,24,29H,3,17-21H2,1-2H3
InChIKeyCKGDTTGFLDDENW-UHFFFAOYSA-N
MW491.66 g/mol
LogP4.60
Rot. Bonds8

About N-benzyl-N-ethyl-2-[4-[(4-methylphenyl)sulfonylamino]piperidin-1-yl]benzamide

N-benzyl-N-ethyl-2-[4-[(4-methylphenyl)sulfonylamino]piperidin-1-yl]benzamide (PubChem CID 46038773) has the molecular formula C28H33N3O3S and a molecular weight of 491.66 g/mol. Its IUPAC name is N-benzyl-N-ethyl-2-[4-[(4-methylphenyl)sulfonylamino]piperidin-1-yl]benzamide.

Molecular Properties

Compound NameN-benzyl-N-ethyl-2-[4-[(4-methylphenyl)sulfonylamino]piperidin-1-yl]benzamide
PubChem CID46038773
Molecular FormulaC28H33N3O3S
Molecular Weight491.66 g/mol
Exact Mass491.22
IUPAC NameN-benzyl-N-ethyl-2-[4-[(4-methylphenyl)sulfonylamino]piperidin-1-yl]benzamide
SMILESCCN(Cc1ccccc1)C(=O)c1ccccc1N1CCC(NS(=O)(=O)c2ccc(C)cc2)CC1
InChIInChI=1S/C28H33N3O3S/c1-3-30(21-23-9-5-4-6-10-23)28(32)26-11-7-8-12-27(26)31-19-17-24(18-20-31)29-35(33,34)25-15-13-22(2)14-16-25/h4-16,24,29H,3,17-21H2,1-2H3
InChIKeyCKGDTTGFLDDENW-UHFFFAOYSA-N
XLogP4.60
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.66
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-2-[4-[(4-chlorobenzoyl)amino]piperidin-1-yl]-N-ethylbenzamide
CID 46038514
N-[1-[2-[benzyl(ethyl)carbamoyl]phenyl]piperidin-4-yl]-2,4-dichlorobenzamide
CID 42848423
2-[4-(benzenesulfonamido)piperidin-1-yl]-N-butan-2-ylbenzamide
CID 42848513
2-[4-(benzenesulfonamido)piperidin-1-yl]-N-(pyridin-3-ylmethyl)benzamide
CID 42848524
N-[2-[4-[(4-methylphenyl)sulfonylamino]piperidin-1-yl]-2-oxoethyl]benzamide
CID 50823425
N-benzyl-5-(dimethylsulfamoyl)-N-ethyl-2-piperidin-1-ylbenzamide
CID 16560694
2-(4-acetamidopiperidin-1-yl)-N-benzyl-N-methylbenzamide
CID 46038155
2-[4-[(4-chlorophenyl)sulfonylamino]piperidin-1-yl]-N-(pyridin-4-ylmethyl)benzamide
CID 46038683
N-ethyl-N-methyl-2-[4-[(4-methylphenyl)carbamoylamino]piperidin-1-yl]benzamide
CID 46038653
2-[4-(benzenesulfonamido)piperidin-1-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide
CID 46038691
4-[(4-methylphenyl)sulfonylamino]-N-phenylpiperidine-1-carboxamide
CID 46380328
N-benzyl-N-ethyl-2-(4-methylphenyl)sulfonylacetamide
CID 17309418

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-ethyl-2-[4-[(4-methylphenyl)sulfonylamino]piperidin-1-yl]benzamide?
The IUPAC name of N-benzyl-N-ethyl-2-[4-[(4-methylphenyl)sulfonylamino]piperidin-1-yl]benzamide (CID 46038773) is N-benzyl-N-ethyl-2-[4-[(4-methylphenyl)sulfonylamino]piperidin-1-yl]benzamide.
What is the SMILES notation for N-benzyl-N-ethyl-2-[4-[(4-methylphenyl)sulfonylamino]piperidin-1-yl]benzamide?
The canonical SMILES for N-benzyl-N-ethyl-2-[4-[(4-methylphenyl)sulfonylamino]piperidin-1-yl]benzamide is CCN(Cc1ccccc1)C(=O)c1ccccc1N1CCC(NS(=O)(=O)c2ccc(C)cc2)CC1.
What is the InChIKey of N-benzyl-N-ethyl-2-[4-[(4-methylphenyl)sulfonylamino]piperidin-1-yl]benzamide?
The InChIKey is CKGDTTGFLDDENW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N3O3S/c1-3-30(21-23-9-5-4-6-10-23)28(32)26-11-7-8-12-27(26)31-19-17-24(18-20-31)29-35(33,34)25-15-13-22(2)14-16-25/h4-16,24,29H,3,17-21H2,1-2H3.
What are the key properties of N-benzyl-N-ethyl-2-[4-[(4-methylphenyl)sulfonylamino]piperidin-1-yl]benzamide?
N-benzyl-N-ethyl-2-[4-[(4-methylphenyl)sulfonylamino]piperidin-1-yl]benzamide has a molecular weight of 491.66 g/mol, XLogP of 4.60, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-ethyl-2-[4-[(4-methylphenyl)sulfonylamino]piperidin-1-yl]benzamide is sourced from PubChem (CID 46038773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).