N-[2-(3-methoxyphenyl)ethyl]-3-piperidin-1-ylsulfonylpropanamide

C17H26N2O4S — CID 110342622

IUPACN-[2-(3-methoxyphenyl)ethyl]-3-piperidin-1-ylsulfonylpropanamide
SMILESCOc1cccc(CCNC(=O)CCS(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C17H26N2O4S/c1-23-16-7-5-6-15(14-16)8-10-18-17(20)9-13-24(21,22)19-11-3-2-4-12-19/h5-7,14H,2-4,8-13H2,1H3,(H,18,20)
InChIKeyVUUWTUCALCCFBN-UHFFFAOYSA-N
MW354.47 g/mol
LogP1.56
Rot. Bonds8

About N-[2-(3-methoxyphenyl)ethyl]-3-piperidin-1-ylsulfonylpropanamide

N-[2-(3-methoxyphenyl)ethyl]-3-piperidin-1-ylsulfonylpropanamide (PubChem CID 110342622) has the molecular formula C17H26N2O4S and a molecular weight of 354.47 g/mol. Its IUPAC name is N-[2-(3-methoxyphenyl)ethyl]-3-piperidin-1-ylsulfonylpropanamide.

Molecular Properties

Compound NameN-[2-(3-methoxyphenyl)ethyl]-3-piperidin-1-ylsulfonylpropanamide
PubChem CID110342622
Molecular FormulaC17H26N2O4S
Molecular Weight354.47 g/mol
Exact Mass354.16
IUPAC NameN-[2-(3-methoxyphenyl)ethyl]-3-piperidin-1-ylsulfonylpropanamide
SMILESCOc1cccc(CCNC(=O)CCS(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C17H26N2O4S/c1-23-16-7-5-6-15(14-16)8-10-18-17(20)9-13-24(21,22)19-11-3-2-4-12-19/h5-7,14H,2-4,8-13H2,1H3,(H,18,20)
InChIKeyVUUWTUCALCCFBN-UHFFFAOYSA-N
XLogP1.56
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.47
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 10330235
N-[2-(3-methoxyphenyl)ethyl]propanamide
CID 10584457
N-[2-(3-methoxyphenyl)ethyl]butanamide
CID 10704222
N-(2,5-dimethoxybenzyl)-1-(methylsulfonyl)piperidine-4-carboxamide
CID 3623876
N-[2-(3-methoxyphenyl)ethyl]pentanamide
CID 10823664
N-[2-(4-fluoro-3-methoxyphenyl)ethyl]propanamide
CID 14901813
N-[3-(3-Phenoxyphenyl)propyl]sulfoacetamide
CID 44185318
N-[2-(4-methoxyphenyl)ethyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 894431
N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 1077690
2-[cyclohexyl(methylsulfonyl)amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 2230317
1-(azepan-1-ylsulfonyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]piperidine-4-carboxamide
CID 3235661
1-(ethylsulfonyl)-N-(3-methoxybenzyl)piperidine-3-carboxamide
CID 3236733

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methoxyphenyl)ethyl]-3-piperidin-1-ylsulfonylpropanamide?
The IUPAC name of N-[2-(3-methoxyphenyl)ethyl]-3-piperidin-1-ylsulfonylpropanamide (CID 110342622) is N-[2-(3-methoxyphenyl)ethyl]-3-piperidin-1-ylsulfonylpropanamide.
What is the SMILES notation for N-[2-(3-methoxyphenyl)ethyl]-3-piperidin-1-ylsulfonylpropanamide?
The canonical SMILES for N-[2-(3-methoxyphenyl)ethyl]-3-piperidin-1-ylsulfonylpropanamide is COc1cccc(CCNC(=O)CCS(=O)(=O)N2CCCCC2)c1.
What is the InChIKey of N-[2-(3-methoxyphenyl)ethyl]-3-piperidin-1-ylsulfonylpropanamide?
The InChIKey is VUUWTUCALCCFBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O4S/c1-23-16-7-5-6-15(14-16)8-10-18-17(20)9-13-24(21,22)19-11-3-2-4-12-19/h5-7,14H,2-4,8-13H2,1H3,(H,18,20).
What are the key properties of N-[2-(3-methoxyphenyl)ethyl]-3-piperidin-1-ylsulfonylpropanamide?
N-[2-(3-methoxyphenyl)ethyl]-3-piperidin-1-ylsulfonylpropanamide has a molecular weight of 354.47 g/mol, XLogP of 1.56, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methoxyphenyl)ethyl]-3-piperidin-1-ylsulfonylpropanamide is sourced from PubChem (CID 110342622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).