2-[1-(benzenesulfonyl)piperidin-4-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide

C23H30N2O5S — CID 46294811

IUPAC2-[1-(benzenesulfonyl)piperidin-4-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
SMILESCOc1ccc(CCNC(=O)CC2CCN(S(=O)(=O)c3ccccc3)CC2)cc1OC
InChIInChI=1S/C23H30N2O5S/c1-29-21-9-8-18(16-22(21)30-2)10-13-24-23(26)17-19-11-14-25(15-12-19)31(27,28)20-6-4-3-5-7-20/h3-9,16,19H,10-15,17H2,1-2H3,(H,24,26)
InChIKeyNPRWTAZXRKAALA-UHFFFAOYSA-N
MW446.57 g/mol
LogP2.85
Rot. Bonds9

About 2-[1-(benzenesulfonyl)piperidin-4-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide

2-[1-(benzenesulfonyl)piperidin-4-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide (PubChem CID 46294811) has the molecular formula C23H30N2O5S and a molecular weight of 446.57 g/mol. Its IUPAC name is 2-[1-(benzenesulfonyl)piperidin-4-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[1-(benzenesulfonyl)piperidin-4-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
PubChem CID46294811
Molecular FormulaC23H30N2O5S
Molecular Weight446.57 g/mol
Exact Mass446.19
IUPAC Name2-[1-(benzenesulfonyl)piperidin-4-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
SMILESCOc1ccc(CCNC(=O)CC2CCN(S(=O)(=O)c3ccccc3)CC2)cc1OC
InChIInChI=1S/C23H30N2O5S/c1-29-21-9-8-18(16-22(21)30-2)10-13-24-23(26)17-19-11-14-25(15-12-19)31(27,28)20-6-4-3-5-7-20/h3-9,16,19H,10-15,17H2,1-2H3,(H,24,26)
InChIKeyNPRWTAZXRKAALA-UHFFFAOYSA-N
XLogP2.85
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.57
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(benzenesulfonyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]azetidine-2-carboxamide
CID 86776230
1-(4-bromophenyl)sulfonyl-N-[2-(3,4-dimethoxyphenyl)ethyl]piperidine-4-carboxamide
CID 3607128
2-[1-(benzenesulfonyl)piperidin-4-yl]-N-[(5-bromo-2-methoxyphenyl)methyl]acetamide
CID 46294844
2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 5206655
1-(benzenesulfonyl)-N-[(3,4-dimethoxyphenyl)methyl]-N-methylpiperidine-4-carboxamide
CID 26594400
N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-[(4-piperidin-1-ylsulfonylphenyl)methyl]oxamide
CID 17248888
N-[2-[4-(4-benzylpiperidin-1-yl)sulfonylphenyl]ethyl]-5-chloro-2-methoxybenzamide
CID 171692060
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-[4-(prop-2-enoylamino)piperidin-1-yl]sulfonylbenzamide
CID 71449440
N-[2-(3,4-dimethoxyphenyl)ethyl]-1-[4-(tetrazol-1-yl)phenyl]sulfonylpiperidine-4-carboxamide
CID 3195562
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)acetamide
CID 4732371
N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 2968136
2-[1-(benzenesulfonyl)piperidin-4-yl]-N-[2-(1,3-thiazol-4-yl)ethyl]acetamide
CID 110353860

Frequently Asked Questions

What is the IUPAC name of 2-[1-(benzenesulfonyl)piperidin-4-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide?
The IUPAC name of 2-[1-(benzenesulfonyl)piperidin-4-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide (CID 46294811) is 2-[1-(benzenesulfonyl)piperidin-4-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide.
What is the SMILES notation for 2-[1-(benzenesulfonyl)piperidin-4-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide?
The canonical SMILES for 2-[1-(benzenesulfonyl)piperidin-4-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide is COc1ccc(CCNC(=O)CC2CCN(S(=O)(=O)c3ccccc3)CC2)cc1OC.
What is the InChIKey of 2-[1-(benzenesulfonyl)piperidin-4-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide?
The InChIKey is NPRWTAZXRKAALA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O5S/c1-29-21-9-8-18(16-22(21)30-2)10-13-24-23(26)17-19-11-14-25(15-12-19)31(27,28)20-6-4-3-5-7-20/h3-9,16,19H,10-15,17H2,1-2H3,(H,24,26).
What are the key properties of 2-[1-(benzenesulfonyl)piperidin-4-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide?
2-[1-(benzenesulfonyl)piperidin-4-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide has a molecular weight of 446.57 g/mol, XLogP of 2.85, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(benzenesulfonyl)piperidin-4-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide is sourced from PubChem (CID 46294811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).