N-(1-benzylpiperidin-4-yl)-2-[(4-methylphenyl)sulfonyl-propylamino]acetamide

C24H33N3O3S — CID 42878689

IUPACN-(1-benzylpiperidin-4-yl)-2-[(4-methylphenyl)sulfonyl-propylamino]acetamide
SMILESCCCN(CC(=O)NC1CCN(Cc2ccccc2)CC1)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C24H33N3O3S/c1-3-15-27(31(29,30)23-11-9-20(2)10-12-23)19-24(28)25-22-13-16-26(17-14-22)18-21-7-5-4-6-8-21/h4-12,22H,3,13-19H2,1-2H3,(H,25,28)
InChIKeyBXIGJYDWPJFGDG-UHFFFAOYSA-N
MW443.61 g/mol
LogP3.18
Rot. Bonds9

About N-(1-benzylpiperidin-4-yl)-2-[(4-methylphenyl)sulfonyl-propylamino]acetamide

N-(1-benzylpiperidin-4-yl)-2-[(4-methylphenyl)sulfonyl-propylamino]acetamide (PubChem CID 42878689) has the molecular formula C24H33N3O3S and a molecular weight of 443.61 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-2-[(4-methylphenyl)sulfonyl-propylamino]acetamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-2-[(4-methylphenyl)sulfonyl-propylamino]acetamide
PubChem CID42878689
Molecular FormulaC24H33N3O3S
Molecular Weight443.61 g/mol
Exact Mass443.22
IUPAC NameN-(1-benzylpiperidin-4-yl)-2-[(4-methylphenyl)sulfonyl-propylamino]acetamide
SMILESCCCN(CC(=O)NC1CCN(Cc2ccccc2)CC1)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C24H33N3O3S/c1-3-15-27(31(29,30)23-11-9-20(2)10-12-23)19-24(28)25-22-13-16-26(17-14-22)18-21-7-5-4-6-8-21/h4-12,22H,3,13-19H2,1-2H3,(H,25,28)
InChIKeyBXIGJYDWPJFGDG-UHFFFAOYSA-N
XLogP3.18
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.61
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-methylphenyl)sulfonyl-(2-phenylethyl)amino]-N-(1-methylpiperidin-4-yl)acetamide
CID 99967123
N-(1-benzylpiperidin-4-yl)-3-(4-methylphenyl)sulfonylpropanamide
CID 9165150
N-[3-[(1-benzylpiperidin-4-yl)amino]-3-oxopropyl]-2-methyl-N-propylpropanamide
CID 42700171
2-[(3-methylphenyl)methyl-(4-methylphenyl)sulfonylamino]-N-(1-methylpiperidin-4-yl)acetamide
CID 99967313
N-(1-benzylpiperidin-4-yl)-4-[bis(2-methoxyethyl)sulfamoyl]benzamide;hydrochloride
CID 6602988
2-[(4-methoxyphenyl)sulfonyl-(2-phenylethyl)amino]-N-(1-methylpiperidin-4-yl)acetamide
CID 99967188
2-[benzenesulfonyl(ethyl)amino]-N-cyclopropylacetamide
CID 2985758
2-(N-(4-methylphenyl)sulfonylanilino)-N-(1-methylpiperidin-4-yl)acetamide
CID 50946578
N-(1-benzylpiperidin-4-yl)-2-(3-methylphenyl)acetamide
CID 6465155
N-cyclohexyl-2-[(4-methylphenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 126009784
N-(1-benzylpiperidin-4-yl)-3-[(3,4-dimethylphenyl)sulfonylamino]propanamide
CID 26691417
N-(1-benzylpiperidin-4-yl)-3-[(3-methylphenyl)carbamoyl-propylamino]propanamide
CID 42700182

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-2-[(4-methylphenyl)sulfonyl-propylamino]acetamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-2-[(4-methylphenyl)sulfonyl-propylamino]acetamide (CID 42878689) is N-(1-benzylpiperidin-4-yl)-2-[(4-methylphenyl)sulfonyl-propylamino]acetamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-2-[(4-methylphenyl)sulfonyl-propylamino]acetamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-2-[(4-methylphenyl)sulfonyl-propylamino]acetamide is CCCN(CC(=O)NC1CCN(Cc2ccccc2)CC1)S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-2-[(4-methylphenyl)sulfonyl-propylamino]acetamide?
The InChIKey is BXIGJYDWPJFGDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O3S/c1-3-15-27(31(29,30)23-11-9-20(2)10-12-23)19-24(28)25-22-13-16-26(17-14-22)18-21-7-5-4-6-8-21/h4-12,22H,3,13-19H2,1-2H3,(H,25,28).
What are the key properties of N-(1-benzylpiperidin-4-yl)-2-[(4-methylphenyl)sulfonyl-propylamino]acetamide?
N-(1-benzylpiperidin-4-yl)-2-[(4-methylphenyl)sulfonyl-propylamino]acetamide has a molecular weight of 443.61 g/mol, XLogP of 3.18, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-2-[(4-methylphenyl)sulfonyl-propylamino]acetamide is sourced from PubChem (CID 42878689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).