2-(3,4-dimethoxyphenyl)-N-(2-piperidin-1-ylsulfonylethyl)acetamide

C17H26N2O5S — CID 110287567

IUPAC2-(3,4-dimethoxyphenyl)-N-(2-piperidin-1-ylsulfonylethyl)acetamide
SMILESCOc1ccc(CC(=O)NCCS(=O)(=O)N2CCCCC2)cc1OC
InChIInChI=1S/C17H26N2O5S/c1-23-15-7-6-14(12-16(15)24-2)13-17(20)18-8-11-25(21,22)19-9-4-3-5-10-19/h6-7,12H,3-5,8-11,13H2,1-2H3,(H,18,20)
InChIKeyMXZNSGPMEKIVPR-UHFFFAOYSA-N
MW370.47 g/mol
LogP1.18
Rot. Bonds8

About 2-(3,4-dimethoxyphenyl)-N-(2-piperidin-1-ylsulfonylethyl)acetamide

2-(3,4-dimethoxyphenyl)-N-(2-piperidin-1-ylsulfonylethyl)acetamide (PubChem CID 110287567) has the molecular formula C17H26N2O5S and a molecular weight of 370.47 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-N-(2-piperidin-1-ylsulfonylethyl)acetamide.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-N-(2-piperidin-1-ylsulfonylethyl)acetamide
PubChem CID110287567
Molecular FormulaC17H26N2O5S
Molecular Weight370.47 g/mol
Exact Mass370.16
IUPAC Name2-(3,4-dimethoxyphenyl)-N-(2-piperidin-1-ylsulfonylethyl)acetamide
SMILESCOc1ccc(CC(=O)NCCS(=O)(=O)N2CCCCC2)cc1OC
InChIInChI=1S/C17H26N2O5S/c1-23-15-7-6-14(12-16(15)24-2)13-17(20)18-8-11-25(21,22)19-9-4-3-5-10-19/h6-7,12H,3-5,8-11,13H2,1-2H3,(H,18,20)
InChIKeyMXZNSGPMEKIVPR-UHFFFAOYSA-N
XLogP1.18
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.47
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)ethyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 16809519
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(piperidin-1-ylsulfonylmethyl)benzamide
CID 92676922
2-(3,4-dimethoxyphenyl)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 1306204
5-(4-methoxyphenyl)-N-(2-piperidin-1-ylsulfonylethyl)pentanamide
CID 110306644
N-(3,4-dimethoxyphenyl)-3-pyrrolidin-1-ylsulfonylpropanamide
CID 110342568
methyl 1-[2-[(3,4-dimethoxybenzoyl)amino]ethylsulfonyl]piperidine-4-carboxylate
CID 7618747
N-[2-[(2-chloroacetyl)amino]ethyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 108575225
N-[3-(azepan-1-yl)propyl]-2-(4-methoxy-3-methylphenyl)acetamide
CID 100689280
N-[3-(azepan-1-yl)propyl]-3-(3,4-dimethoxyphenyl)propanamide
CID 92675634
2-(3,4-dimethoxyphenyl)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)acetamide
CID 51179547
N-[2-(azepan-1-ylsulfonyl)ethyl]propanamide
CID 110345992
2-(3,4-dimethoxyphenyl)-N-[3-(methylamino)propyl]acetamide
CID 43600817

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-N-(2-piperidin-1-ylsulfonylethyl)acetamide?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-N-(2-piperidin-1-ylsulfonylethyl)acetamide (CID 110287567) is 2-(3,4-dimethoxyphenyl)-N-(2-piperidin-1-ylsulfonylethyl)acetamide.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-N-(2-piperidin-1-ylsulfonylethyl)acetamide?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-N-(2-piperidin-1-ylsulfonylethyl)acetamide is COc1ccc(CC(=O)NCCS(=O)(=O)N2CCCCC2)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-N-(2-piperidin-1-ylsulfonylethyl)acetamide?
The InChIKey is MXZNSGPMEKIVPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O5S/c1-23-15-7-6-14(12-16(15)24-2)13-17(20)18-8-11-25(21,22)19-9-4-3-5-10-19/h6-7,12H,3-5,8-11,13H2,1-2H3,(H,18,20).
What are the key properties of 2-(3,4-dimethoxyphenyl)-N-(2-piperidin-1-ylsulfonylethyl)acetamide?
2-(3,4-dimethoxyphenyl)-N-(2-piperidin-1-ylsulfonylethyl)acetamide has a molecular weight of 370.47 g/mol, XLogP of 1.18, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-N-(2-piperidin-1-ylsulfonylethyl)acetamide is sourced from PubChem (CID 110287567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).