2-[1-(benzenesulfonyl)piperidin-4-yl]-N-(3-methoxyphenyl)acetamide

C20H24N2O4S — CID 110356021

IUPAC2-[1-(benzenesulfonyl)piperidin-4-yl]-N-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(NC(=O)CC2CCN(S(=O)(=O)c3ccccc3)CC2)c1
InChIInChI=1S/C20H24N2O4S/c1-26-18-7-5-6-17(15-18)21-20(23)14-16-10-12-22(13-11-16)27(24,25)19-8-3-2-4-9-19/h2-9,15-16H,10-14H2,1H3,(H,21,23)
InChIKeyBXNHBTPHHXJHQP-UHFFFAOYSA-N
MW388.49 g/mol
LogP3.12
Rot. Bonds6

About 2-[1-(benzenesulfonyl)piperidin-4-yl]-N-(3-methoxyphenyl)acetamide

2-[1-(benzenesulfonyl)piperidin-4-yl]-N-(3-methoxyphenyl)acetamide (PubChem CID 110356021) has the molecular formula C20H24N2O4S and a molecular weight of 388.49 g/mol. Its IUPAC name is 2-[1-(benzenesulfonyl)piperidin-4-yl]-N-(3-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[1-(benzenesulfonyl)piperidin-4-yl]-N-(3-methoxyphenyl)acetamide
PubChem CID110356021
Molecular FormulaC20H24N2O4S
Molecular Weight388.49 g/mol
Exact Mass388.15
IUPAC Name2-[1-(benzenesulfonyl)piperidin-4-yl]-N-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(NC(=O)CC2CCN(S(=O)(=O)c3ccccc3)CC2)c1
InChIInChI=1S/C20H24N2O4S/c1-26-18-7-5-6-17(15-18)21-20(23)14-16-10-12-22(13-11-16)27(24,25)19-8-3-2-4-9-19/h2-9,15-16H,10-14H2,1H3,(H,21,23)
InChIKeyBXNHBTPHHXJHQP-UHFFFAOYSA-N
XLogP3.12
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-[(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]piperidin-4-yl]-N-(3-methoxyphenyl)acetamide
CID 53124829
4-(benzenesulfonyl)-N-(3-methoxyphenyl)piperazine-1-carboxamide
CID 51515803
N-(3-methoxyphenyl)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide
CID 3480604
1,4-bis(benzenesulfonyl)-N-(3-methoxyphenyl)piperazine-2-carboxamide
CID 2864807
1-(3-acetylphenyl)sulfonyl-N-(3-methoxyphenyl)piperidine-4-carboxamide
CID 8714129
3-[1-(dimethylsulfamoyl)piperidin-4-yl]-N-(3-methoxyphenyl)propanamide
CID 25375209
2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(3-methoxyphenyl)-2-phenylacetamide
CID 4796543
2-[1-(benzenesulfonyl)piperidin-4-yl]-N-(2,4-dimethylphenyl)acetamide
CID 110355965
2-cyclopentyl-N-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]acetamide
CID 9414196
2-[1-(benzenesulfonyl)piperidin-4-yl]-N-[(5-bromo-2-methoxyphenyl)methyl]acetamide
CID 46294844
[2-(3-methoxyanilino)-2-oxoethyl] 3-(azepan-1-ylsulfonyl)benzoate
CID 2545175
3-(4-benzylpiperidin-1-yl)-N-(3-methoxyphenyl)-3-oxopropanamide
CID 108952153

Frequently Asked Questions

What is the IUPAC name of 2-[1-(benzenesulfonyl)piperidin-4-yl]-N-(3-methoxyphenyl)acetamide?
The IUPAC name of 2-[1-(benzenesulfonyl)piperidin-4-yl]-N-(3-methoxyphenyl)acetamide (CID 110356021) is 2-[1-(benzenesulfonyl)piperidin-4-yl]-N-(3-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[1-(benzenesulfonyl)piperidin-4-yl]-N-(3-methoxyphenyl)acetamide?
The canonical SMILES for 2-[1-(benzenesulfonyl)piperidin-4-yl]-N-(3-methoxyphenyl)acetamide is COc1cccc(NC(=O)CC2CCN(S(=O)(=O)c3ccccc3)CC2)c1.
What is the InChIKey of 2-[1-(benzenesulfonyl)piperidin-4-yl]-N-(3-methoxyphenyl)acetamide?
The InChIKey is BXNHBTPHHXJHQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4S/c1-26-18-7-5-6-17(15-18)21-20(23)14-16-10-12-22(13-11-16)27(24,25)19-8-3-2-4-9-19/h2-9,15-16H,10-14H2,1H3,(H,21,23).
What are the key properties of 2-[1-(benzenesulfonyl)piperidin-4-yl]-N-(3-methoxyphenyl)acetamide?
2-[1-(benzenesulfonyl)piperidin-4-yl]-N-(3-methoxyphenyl)acetamide has a molecular weight of 388.49 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(benzenesulfonyl)piperidin-4-yl]-N-(3-methoxyphenyl)acetamide is sourced from PubChem (CID 110356021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).