N-(2-methoxyethyl)-2-(4-piperidin-1-ylsulfonylphenyl)acetamide

C16H24N2O4S — CID 9399959

IUPACN-(2-methoxyethyl)-2-(4-piperidin-1-ylsulfonylphenyl)acetamide
SMILESCOCCNC(=O)Cc1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C16H24N2O4S/c1-22-12-9-17-16(19)13-14-5-7-15(8-6-14)23(20,21)18-10-3-2-4-11-18/h5-8H,2-4,9-13H2,1H3,(H,17,19)
InChIKeyIMHJKXZMUSQFSS-UHFFFAOYSA-N
MW340.45 g/mol
LogP1.17
Rot. Bonds7

About N-(2-methoxyethyl)-2-(4-piperidin-1-ylsulfonylphenyl)acetamide

N-(2-methoxyethyl)-2-(4-piperidin-1-ylsulfonylphenyl)acetamide (PubChem CID 9399959) has the molecular formula C16H24N2O4S and a molecular weight of 340.45 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-(4-piperidin-1-ylsulfonylphenyl)acetamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-(4-piperidin-1-ylsulfonylphenyl)acetamide
PubChem CID9399959
Molecular FormulaC16H24N2O4S
Molecular Weight340.45 g/mol
Exact Mass340.15
IUPAC NameN-(2-methoxyethyl)-2-(4-piperidin-1-ylsulfonylphenyl)acetamide
SMILESCOCCNC(=O)Cc1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C16H24N2O4S/c1-22-12-9-17-16(19)13-14-5-7-15(8-6-14)23(20,21)18-10-3-2-4-11-18/h5-8H,2-4,9-13H2,1H3,(H,17,19)
InChIKeyIMHJKXZMUSQFSS-UHFFFAOYSA-N
XLogP1.17
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(2-methoxyethylamino)-2-oxoethyl]-4-piperidin-1-ylsulfonylbenzamide
CID 24542872
N-(3-methoxypropyl)-2-[4-[2-(4-piperidin-1-ylsulfonylphenyl)acetyl]piperazin-1-yl]acetamide
CID 55427135
4-methoxy-2-[[2-(4-piperidin-1-ylsulfonylphenyl)acetyl]amino]butanoic acid
CID 120702439
N-(3-methoxypropyl)-N'-[2-(4-piperidin-1-ylsulfonylphenyl)ethyl]oxamide
CID 30126490
1-ethyl-3-(2-methoxyethyl)-2-[(4-piperidin-1-ylsulfonylphenyl)methyl]guanidine
CID 110941636
5-(azepan-1-ylsulfonyl)-2-chloro-N-(2-methoxyethyl)benzamide
CID 46387480
2-(4-hydroxyphenyl)-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]acetamide
CID 78806095
N-[2-(methylamino)propyl]-2-(4-piperidin-1-ylsulfonylphenyl)acetamide;hydrochloride
CID 120832248
N-[3-[(2-methoxyacetyl)amino]phenyl]-2-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 55566421
N-(2-acetamidoethyl)-3-[4-(azepan-1-ylsulfonyl)phenyl]propanamide
CID 9204753
N-[4-(azepan-1-ylsulfonyl)phenyl]-3-[(2-phenylacetyl)amino]propanamide
CID 55499906
N-[(3-bromophenyl)methyl]-2-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 55595326

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-(4-piperidin-1-ylsulfonylphenyl)acetamide?
The IUPAC name of N-(2-methoxyethyl)-2-(4-piperidin-1-ylsulfonylphenyl)acetamide (CID 9399959) is N-(2-methoxyethyl)-2-(4-piperidin-1-ylsulfonylphenyl)acetamide.
What is the SMILES notation for N-(2-methoxyethyl)-2-(4-piperidin-1-ylsulfonylphenyl)acetamide?
The canonical SMILES for N-(2-methoxyethyl)-2-(4-piperidin-1-ylsulfonylphenyl)acetamide is COCCNC(=O)Cc1ccc(S(=O)(=O)N2CCCCC2)cc1.
What is the InChIKey of N-(2-methoxyethyl)-2-(4-piperidin-1-ylsulfonylphenyl)acetamide?
The InChIKey is IMHJKXZMUSQFSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O4S/c1-22-12-9-17-16(19)13-14-5-7-15(8-6-14)23(20,21)18-10-3-2-4-11-18/h5-8H,2-4,9-13H2,1H3,(H,17,19).
What are the key properties of N-(2-methoxyethyl)-2-(4-piperidin-1-ylsulfonylphenyl)acetamide?
N-(2-methoxyethyl)-2-(4-piperidin-1-ylsulfonylphenyl)acetamide has a molecular weight of 340.45 g/mol, XLogP of 1.17, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-(4-piperidin-1-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 9399959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).