N-[4-[methylsulfonyl(oxan-4-yl)amino]phenyl]acetamide

C14H20N2O4S — CID 113094432

IUPACN-[4-[methylsulfonyl(oxan-4-yl)amino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(N(C2CCOCC2)S(C)(=O)=O)cc1
InChIInChI=1S/C14H20N2O4S/c1-11(17)15-12-3-5-13(6-4-12)16(21(2,18)19)14-7-9-20-10-8-14/h3-6,14H,7-10H2,1-2H3,(H,15,17)
InChIKeyZPTTUQODHLJKII-UHFFFAOYSA-N
MW312.39 g/mol
LogP1.59
Rot. Bonds4

About N-[4-[methylsulfonyl(oxan-4-yl)amino]phenyl]acetamide

N-[4-[methylsulfonyl(oxan-4-yl)amino]phenyl]acetamide (PubChem CID 113094432) has the molecular formula C14H20N2O4S and a molecular weight of 312.39 g/mol. Its IUPAC name is N-[4-[methylsulfonyl(oxan-4-yl)amino]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[methylsulfonyl(oxan-4-yl)amino]phenyl]acetamide
PubChem CID113094432
Molecular FormulaC14H20N2O4S
Molecular Weight312.39 g/mol
Exact Mass312.11
IUPAC NameN-[4-[methylsulfonyl(oxan-4-yl)amino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(N(C2CCOCC2)S(C)(=O)=O)cc1
InChIInChI=1S/C14H20N2O4S/c1-11(17)15-12-3-5-13(6-4-12)16(21(2,18)19)14-7-9-20-10-8-14/h3-6,14H,7-10H2,1-2H3,(H,15,17)
InChIKeyZPTTUQODHLJKII-UHFFFAOYSA-N
XLogP1.59
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[methylsulfonyl(oxan-4-yl)amino]phenyl]-3-propan-2-ylurea
CID 113094462
N-[4-[methylsulfonyl(oxan-4-yl)amino]phenyl]benzamide
CID 113094445
N-[4-[(4-methylphenyl)sulfonyl-(oxan-4-yl)amino]phenyl]acetamide
CID 113095248
N-[4-[cyclopropyl(methylsulfonyl)amino]phenyl]benzamide
CID 113094359
N-[4-[oxan-4-yl(phenylcarbamoyl)amino]phenyl]acetamide
CID 113095234
N-[4-[oxan-4-yl(propan-2-ylcarbamoyl)amino]phenyl]acetamide
CID 113095241
3,4-dichloro-N-[4-[cyclopropyl(methylsulfonyl)amino]phenyl]benzamide
CID 113094370
N-[4-[methyl(methylsulfonyl)amino]phenyl]acetamide
CID 977789
N-(oxan-4-yl)-N-[4-(phenylcarbamoylamino)phenyl]acetamide
CID 113094206
N-(4-acetamidophenyl)-2-methoxy-N-(oxan-4-yl)benzamide
CID 113095202
N-(4-bromo-3,5-dimethylphenyl)-N-(oxan-4-yl)methanesulfonamide
CID 66817386
N-[4-(cyclopropylcarbamoylamino)phenyl]-N-(oxan-4-yl)acetamide
CID 113094214

Frequently Asked Questions

What is the IUPAC name of N-[4-[methylsulfonyl(oxan-4-yl)amino]phenyl]acetamide?
The IUPAC name of N-[4-[methylsulfonyl(oxan-4-yl)amino]phenyl]acetamide (CID 113094432) is N-[4-[methylsulfonyl(oxan-4-yl)amino]phenyl]acetamide.
What is the SMILES notation for N-[4-[methylsulfonyl(oxan-4-yl)amino]phenyl]acetamide?
The canonical SMILES for N-[4-[methylsulfonyl(oxan-4-yl)amino]phenyl]acetamide is CC(=O)Nc1ccc(N(C2CCOCC2)S(C)(=O)=O)cc1.
What is the InChIKey of N-[4-[methylsulfonyl(oxan-4-yl)amino]phenyl]acetamide?
The InChIKey is ZPTTUQODHLJKII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4S/c1-11(17)15-12-3-5-13(6-4-12)16(21(2,18)19)14-7-9-20-10-8-14/h3-6,14H,7-10H2,1-2H3,(H,15,17).
What are the key properties of N-[4-[methylsulfonyl(oxan-4-yl)amino]phenyl]acetamide?
N-[4-[methylsulfonyl(oxan-4-yl)amino]phenyl]acetamide has a molecular weight of 312.39 g/mol, XLogP of 1.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[methylsulfonyl(oxan-4-yl)amino]phenyl]acetamide is sourced from PubChem (CID 113094432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).