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

C20H24N2O4S — CID 113095248

IUPACN-[4-[(4-methylphenyl)sulfonyl-(oxan-4-yl)amino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(N(C2CCOCC2)S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C20H24N2O4S/c1-15-3-9-20(10-4-15)27(24,25)22(19-11-13-26-14-12-19)18-7-5-17(6-8-18)21-16(2)23/h3-10,19H,11-14H2,1-2H3,(H,21,23)
InChIKeyUVSMMUPEKBRDNF-UHFFFAOYSA-N
MW388.49 g/mol
LogP3.33
Rot. Bonds5

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

N-[4-[(4-methylphenyl)sulfonyl-(oxan-4-yl)amino]phenyl]acetamide (PubChem CID 113095248) has the molecular formula C20H24N2O4S and a molecular weight of 388.49 g/mol. Its IUPAC name is N-[4-[(4-methylphenyl)sulfonyl-(oxan-4-yl)amino]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(4-methylphenyl)sulfonyl-(oxan-4-yl)amino]phenyl]acetamide
PubChem CID113095248
Molecular FormulaC20H24N2O4S
Molecular Weight388.49 g/mol
Exact Mass388.15
IUPAC NameN-[4-[(4-methylphenyl)sulfonyl-(oxan-4-yl)amino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(N(C2CCOCC2)S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C20H24N2O4S/c1-15-3-9-20(10-4-15)27(24,25)22(19-11-13-26-14-12-19)18-7-5-17(6-8-18)21-16(2)23/h3-10,19H,11-14H2,1-2H3,(H,21,23)
InChIKeyUVSMMUPEKBRDNF-UHFFFAOYSA-N
XLogP3.33
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[methylsulfonyl(oxan-4-yl)amino]phenyl]acetamide
CID 113094432
N-[4-[cyclopropyl-(4-fluoro-3-methylphenyl)sulfonylamino]phenyl]acetamide
CID 113095149
N-[4-[cyclopropyl-(4-propan-2-yloxyphenyl)sulfonylamino]phenyl]acetamide
CID 113095178
N-cyclopropyl-N-[4-(methanesulfonamido)phenyl]-4-methylbenzenesulfonamide
CID 113094754
N-[4-[acetyl(oxan-4-yl)amino]phenyl]-4-methylbenzamide
CID 113094170
N-[4-[oxan-4-yl(propan-2-ylcarbamoyl)amino]phenyl]acetamide
CID 113095241
N-[4-[methylsulfonyl(oxan-4-yl)amino]phenyl]benzamide
CID 113094445
1-[4-[methylsulfonyl(oxan-4-yl)amino]phenyl]-3-propan-2-ylurea
CID 113094462
N-[4-[(4-methylphenyl)-[(4-methylphenyl)methyl]sulfamoyl]phenyl]acetamide
CID 46022239
N-[4-[oxan-4-yl(phenylcarbamoyl)amino]phenyl]acetamide
CID 113095234
2-(N-(4-acetamidophenyl)sulfonyl-4-methylanilino)propanoyl chloride
CID 50889175
N-[4-[cyclopropyl-(4-methoxy-2,5-dimethylphenyl)sulfonylamino]phenyl]acetamide
CID 113095161

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-methylphenyl)sulfonyl-(oxan-4-yl)amino]phenyl]acetamide?
The IUPAC name of N-[4-[(4-methylphenyl)sulfonyl-(oxan-4-yl)amino]phenyl]acetamide (CID 113095248) is N-[4-[(4-methylphenyl)sulfonyl-(oxan-4-yl)amino]phenyl]acetamide.
What is the SMILES notation for N-[4-[(4-methylphenyl)sulfonyl-(oxan-4-yl)amino]phenyl]acetamide?
The canonical SMILES for N-[4-[(4-methylphenyl)sulfonyl-(oxan-4-yl)amino]phenyl]acetamide is CC(=O)Nc1ccc(N(C2CCOCC2)S(=O)(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of N-[4-[(4-methylphenyl)sulfonyl-(oxan-4-yl)amino]phenyl]acetamide?
The InChIKey is UVSMMUPEKBRDNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4S/c1-15-3-9-20(10-4-15)27(24,25)22(19-11-13-26-14-12-19)18-7-5-17(6-8-18)21-16(2)23/h3-10,19H,11-14H2,1-2H3,(H,21,23).
What are the key properties of N-[4-[(4-methylphenyl)sulfonyl-(oxan-4-yl)amino]phenyl]acetamide?
N-[4-[(4-methylphenyl)sulfonyl-(oxan-4-yl)amino]phenyl]acetamide has a molecular weight of 388.49 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-methylphenyl)sulfonyl-(oxan-4-yl)amino]phenyl]acetamide is sourced from PubChem (CID 113095248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).