N-[4-[2-[3-(1-methylimidazol-2-yl)sulfonylazetidin-1-yl]-2-oxoethyl]phenyl]acetamide

C17H20N4O4S — CID 91814573

IUPACN-[4-[2-[3-(1-methylimidazol-2-yl)sulfonylazetidin-1-yl]-2-oxoethyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(CC(=O)N2CC(S(=O)(=O)c3nccn3C)C2)cc1
InChIInChI=1S/C17H20N4O4S/c1-12(22)19-14-5-3-13(4-6-14)9-16(23)21-10-15(11-21)26(24,25)17-18-7-8-20(17)2/h3-8,15H,9-11H2,1-2H3,(H,19,22)
InChIKeyYQQFZTOEGOKLGU-UHFFFAOYSA-N
MW376.44 g/mol
LogP0.61
Rot. Bonds5

About N-[4-[2-[3-(1-methylimidazol-2-yl)sulfonylazetidin-1-yl]-2-oxoethyl]phenyl]acetamide

N-[4-[2-[3-(1-methylimidazol-2-yl)sulfonylazetidin-1-yl]-2-oxoethyl]phenyl]acetamide (PubChem CID 91814573) has the molecular formula C17H20N4O4S and a molecular weight of 376.44 g/mol. Its IUPAC name is N-[4-[2-[3-(1-methylimidazol-2-yl)sulfonylazetidin-1-yl]-2-oxoethyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[2-[3-(1-methylimidazol-2-yl)sulfonylazetidin-1-yl]-2-oxoethyl]phenyl]acetamide
PubChem CID91814573
Molecular FormulaC17H20N4O4S
Molecular Weight376.44 g/mol
Exact Mass376.12
IUPAC NameN-[4-[2-[3-(1-methylimidazol-2-yl)sulfonylazetidin-1-yl]-2-oxoethyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(CC(=O)N2CC(S(=O)(=O)c3nccn3C)C2)cc1
InChIInChI=1S/C17H20N4O4S/c1-12(22)19-14-5-3-13(4-6-14)9-16(23)21-10-15(11-21)26(24,25)17-18-7-8-20(17)2/h3-8,15H,9-11H2,1-2H3,(H,19,22)
InChIKeyYQQFZTOEGOKLGU-UHFFFAOYSA-N
XLogP0.61
TPSA101.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.44
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[4-[2-[3-(1-methylimidazol-2-yl)sulfonylazetidin-1-yl]-2-oxoethyl]phenyl]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

2-(4-fluorophenyl)-1-[3-(1-methylimidazol-2-yl)sulfonylazetidin-1-yl]ethanone
CID 91814537
N-[4-[2-(3,4-dihydroxypyrrolidin-1-yl)-2-oxoethyl]phenyl]acetamide
CID 106671076
N-[4-[2-(3-ethylpiperidin-1-yl)-2-oxoethyl]phenyl]acetamide
CID 86981185
N-[4-[2-[3-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]phenyl]acetamide
CID 43403590
1-[3-[(4-methyl-1,2,4-triazol-3-yl)sulfonyl]azetidin-1-yl]-2-(4-propan-2-ylsulfanylphenyl)ethanone
CID 91814471
N-[4-[2-(4-hydroxy-4-methylpiperidin-1-yl)-2-oxoethyl]phenyl]acetamide
CID 80702262
2-(4-fluorophenyl)-1-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]ethanone
CID 90592908
3-(furan-2-yl)-1-[3-(1-methylimidazol-2-yl)sulfonylazetidin-1-yl]prop-2-en-1-one
CID 171139188
N-[4-[[2-(1-methylimidazol-2-yl)ethylamino]methyl]phenyl]acetamide
CID 61214869
1-[4-(1-methylimidazol-2-yl)piperidin-1-yl]-2-(4-methylsulfonylphenyl)ethanone
CID 72896741
ethyl 2-[4-[[4-[(1-methylimidazol-2-yl)methyl]piperazine-1-carbonyl]amino]phenyl]acetate
CID 72841656
N-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]phenyl]acetamide
CID 24537530

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[3-(1-methylimidazol-2-yl)sulfonylazetidin-1-yl]-2-oxoethyl]phenyl]acetamide?
The IUPAC name of N-[4-[2-[3-(1-methylimidazol-2-yl)sulfonylazetidin-1-yl]-2-oxoethyl]phenyl]acetamide (CID 91814573) is N-[4-[2-[3-(1-methylimidazol-2-yl)sulfonylazetidin-1-yl]-2-oxoethyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[2-[3-(1-methylimidazol-2-yl)sulfonylazetidin-1-yl]-2-oxoethyl]phenyl]acetamide?
The canonical SMILES for N-[4-[2-[3-(1-methylimidazol-2-yl)sulfonylazetidin-1-yl]-2-oxoethyl]phenyl]acetamide is CC(=O)Nc1ccc(CC(=O)N2CC(S(=O)(=O)c3nccn3C)C2)cc1.
What is the InChIKey of N-[4-[2-[3-(1-methylimidazol-2-yl)sulfonylazetidin-1-yl]-2-oxoethyl]phenyl]acetamide?
The InChIKey is YQQFZTOEGOKLGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O4S/c1-12(22)19-14-5-3-13(4-6-14)9-16(23)21-10-15(11-21)26(24,25)17-18-7-8-20(17)2/h3-8,15H,9-11H2,1-2H3,(H,19,22).
What are the key properties of N-[4-[2-[3-(1-methylimidazol-2-yl)sulfonylazetidin-1-yl]-2-oxoethyl]phenyl]acetamide?
N-[4-[2-[3-(1-methylimidazol-2-yl)sulfonylazetidin-1-yl]-2-oxoethyl]phenyl]acetamide has a molecular weight of 376.44 g/mol, XLogP of 0.61, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[3-(1-methylimidazol-2-yl)sulfonylazetidin-1-yl]-2-oxoethyl]phenyl]acetamide is sourced from PubChem (CID 91814573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).