N-[4-(oxetan-3-ylmethylsulfonyl)phenyl]acetamide

C12H15NO4S — CID 117032057

IUPACN-[4-(oxetan-3-ylmethylsulfonyl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)CC2COC2)cc1
InChIInChI=1S/C12H15NO4S/c1-9(14)13-11-2-4-12(5-3-11)18(15,16)8-10-6-17-7-10/h2-5,10H,6-8H2,1H3,(H,13,14)
InChIKeyNAXPHZAMCYVWSZ-UHFFFAOYSA-N
MW269.32 g/mol
LogP1.07
Rot. Bonds4

About N-[4-(oxetan-3-ylmethylsulfonyl)phenyl]acetamide

N-[4-(oxetan-3-ylmethylsulfonyl)phenyl]acetamide (PubChem CID 117032057) has the molecular formula C12H15NO4S and a molecular weight of 269.32 g/mol. Its IUPAC name is N-[4-(oxetan-3-ylmethylsulfonyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-(oxetan-3-ylmethylsulfonyl)phenyl]acetamide
PubChem CID117032057
Molecular FormulaC12H15NO4S
Molecular Weight269.32 g/mol
Exact Mass269.07
IUPAC NameN-[4-(oxetan-3-ylmethylsulfonyl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)CC2COC2)cc1
InChIInChI=1S/C12H15NO4S/c1-9(14)13-11-2-4-12(5-3-11)18(15,16)8-10-6-17-7-10/h2-5,10H,6-8H2,1H3,(H,13,14)
InChIKeyNAXPHZAMCYVWSZ-UHFFFAOYSA-N
XLogP1.07
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(cyclopropylmethyl)-3-[4-[[(3S)-oxolan-3-yl]methylsulfonyl]phenyl]urea
CID 95626213
1-[(2S)-butan-2-yl]-3-[4-[[(3R)-oxolan-3-yl]methylsulfonyl]phenyl]urea
CID 95626215
1-[(4-methylphenyl)methyl]-3-[4-(oxolan-3-ylmethylsulfonyl)phenyl]urea
CID 156824580
N-[4-[[(5R,6S)-6-hydroxy-1,3-dioxepan-5-yl]sulfamoyl]phenyl]acetamide
CID 67615689
2-(1-methylpyrazol-3-yl)-N-[4-(oxolan-3-ylmethylsulfonyl)phenyl]acetamide
CID 167855535
ethyl 4-acetamidobenzenesulfonate
CID 91726392
4-acetamidobenzene(18F)sulfonyl fluoride
CID 72736472
N-[4-[(4-acetamidophenyl)sulfonylsulfamoyl]phenyl]acetamide
CID 71349024
4-acetamidobenzenesulfonic acid chloride
CID 53446633
N-[4-[3-(3-methylmorpholin-4-yl)-3-oxopropyl]sulfonylphenyl]acetamide
CID 110631064
4-(cyclopropylmethylsulfonyl)-N-methylaniline
CID 174884651
2-methoxy-N-(4-methylphenyl)-5-[[(3S)-oxolan-3-yl]methylsulfonyl]benzamide;sulfane
CID 158668141

Frequently Asked Questions

What is the IUPAC name of N-[4-(oxetan-3-ylmethylsulfonyl)phenyl]acetamide?
The IUPAC name of N-[4-(oxetan-3-ylmethylsulfonyl)phenyl]acetamide (CID 117032057) is N-[4-(oxetan-3-ylmethylsulfonyl)phenyl]acetamide.
What is the SMILES notation for N-[4-(oxetan-3-ylmethylsulfonyl)phenyl]acetamide?
The canonical SMILES for N-[4-(oxetan-3-ylmethylsulfonyl)phenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)CC2COC2)cc1.
What is the InChIKey of N-[4-(oxetan-3-ylmethylsulfonyl)phenyl]acetamide?
The InChIKey is NAXPHZAMCYVWSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO4S/c1-9(14)13-11-2-4-12(5-3-11)18(15,16)8-10-6-17-7-10/h2-5,10H,6-8H2,1H3,(H,13,14).
What are the key properties of N-[4-(oxetan-3-ylmethylsulfonyl)phenyl]acetamide?
N-[4-(oxetan-3-ylmethylsulfonyl)phenyl]acetamide has a molecular weight of 269.32 g/mol, XLogP of 1.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(oxetan-3-ylmethylsulfonyl)phenyl]acetamide is sourced from PubChem (CID 117032057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).