N-[[4-(4-oxopiperidin-1-yl)sulfonylphenyl]methyl]acetamide

C14H18N2O4S — CID 59772975

IUPACN-[[4-(4-oxopiperidin-1-yl)sulfonylphenyl]methyl]acetamide
SMILESCC(=O)NCc1ccc(S(=O)(=O)N2CCC(=O)CC2)cc1
InChIInChI=1S/C14H18N2O4S/c1-11(17)15-10-12-2-4-14(5-3-12)21(19,20)16-8-6-13(18)7-9-16/h2-5H,6-10H2,1H3,(H,15,17)
InChIKeyGXKACKARHGAQTP-UHFFFAOYSA-N
MW310.38 g/mol
LogP0.68
Rot. Bonds4

About N-[[4-(4-oxopiperidin-1-yl)sulfonylphenyl]methyl]acetamide

N-[[4-(4-oxopiperidin-1-yl)sulfonylphenyl]methyl]acetamide (PubChem CID 59772975) has the molecular formula C14H18N2O4S and a molecular weight of 310.38 g/mol. Its IUPAC name is N-[[4-(4-oxopiperidin-1-yl)sulfonylphenyl]methyl]acetamide.

Molecular Properties

Compound NameN-[[4-(4-oxopiperidin-1-yl)sulfonylphenyl]methyl]acetamide
PubChem CID59772975
Molecular FormulaC14H18N2O4S
Molecular Weight310.38 g/mol
Exact Mass310.10
IUPAC NameN-[[4-(4-oxopiperidin-1-yl)sulfonylphenyl]methyl]acetamide
SMILESCC(=O)NCc1ccc(S(=O)(=O)N2CCC(=O)CC2)cc1
InChIInChI=1S/C14H18N2O4S/c1-11(17)15-10-12-2-4-14(5-3-12)21(19,20)16-8-6-13(18)7-9-16/h2-5H,6-10H2,1H3,(H,15,17)
InChIKeyGXKACKARHGAQTP-UHFFFAOYSA-N
XLogP0.68
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[4-(4-oxopiperidin-1-yl)sulfonylphenyl]methyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[4-(3-hydroxypyrrolidin-1-yl)sulfonylphenyl]methyl]acetamide
CID 62917136
methyl 3-[4-(4-oxopiperidin-1-yl)sulfonylphenyl]propanoate
CID 24827910
4-(acetamidomethyl)-N-(4-morpholin-4-ylsulfonylphenyl)benzamide
CID 43030692
1-(4-butylphenyl)sulfonylpiperidin-4-one
CID 59565035
2,2-dimethyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]propanamide
CID 51198880
(2S)-1-[4-(acetamidomethyl)phenyl]sulfonylpyrrolidine-2-carboxylic acid
CID 119126258
(2R)-2-amino-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]propanamide
CID 119296233
N-[2-oxo-2-[(4-piperidin-1-ylsulfonylphenyl)methylamino]ethyl]cyclopropanecarboxamide
CID 55634285
2,2,2-trifluoro-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]acetamide
CID 108759219
N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-N'-propan-2-yloxamide
CID 17248838
2-oxo-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-2-pyrrolidin-1-ylacetamide
CID 17248916
N-[(4-methylphenyl)methyl]-4-piperidin-1-ylsulfonylbenzamide
CID 2694596

Frequently Asked Questions

What is the IUPAC name of N-[[4-(4-oxopiperidin-1-yl)sulfonylphenyl]methyl]acetamide?
The IUPAC name of N-[[4-(4-oxopiperidin-1-yl)sulfonylphenyl]methyl]acetamide (CID 59772975) is N-[[4-(4-oxopiperidin-1-yl)sulfonylphenyl]methyl]acetamide.
What is the SMILES notation for N-[[4-(4-oxopiperidin-1-yl)sulfonylphenyl]methyl]acetamide?
The canonical SMILES for N-[[4-(4-oxopiperidin-1-yl)sulfonylphenyl]methyl]acetamide is CC(=O)NCc1ccc(S(=O)(=O)N2CCC(=O)CC2)cc1.
What is the InChIKey of N-[[4-(4-oxopiperidin-1-yl)sulfonylphenyl]methyl]acetamide?
The InChIKey is GXKACKARHGAQTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4S/c1-11(17)15-10-12-2-4-14(5-3-12)21(19,20)16-8-6-13(18)7-9-16/h2-5H,6-10H2,1H3,(H,15,17).
What are the key properties of N-[[4-(4-oxopiperidin-1-yl)sulfonylphenyl]methyl]acetamide?
N-[[4-(4-oxopiperidin-1-yl)sulfonylphenyl]methyl]acetamide has a molecular weight of 310.38 g/mol, XLogP of 0.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(4-oxopiperidin-1-yl)sulfonylphenyl]methyl]acetamide is sourced from PubChem (CID 59772975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).