N-[4-[(ethylsulfonylamino)methyl]phenyl]acetamide

C11H16N2O3S — CID 47371785

IUPACN-[4-[(ethylsulfonylamino)methyl]phenyl]acetamide
SMILESCCS(=O)(=O)NCc1ccc(NC(C)=O)cc1
InChIInChI=1S/C11H16N2O3S/c1-3-17(15,16)12-8-10-4-6-11(7-5-10)13-9(2)14/h4-7,12H,3,8H2,1-2H3,(H,13,14)
InChIKeyAKXXHVVOYVJWAY-UHFFFAOYSA-N
MW256.33 g/mol
LogP1.08
Rot. Bonds5

About N-[4-[(ethylsulfonylamino)methyl]phenyl]acetamide

N-[4-[(ethylsulfonylamino)methyl]phenyl]acetamide (PubChem CID 47371785) has the molecular formula C11H16N2O3S and a molecular weight of 256.33 g/mol. Its IUPAC name is N-[4-[(ethylsulfonylamino)methyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(ethylsulfonylamino)methyl]phenyl]acetamide
PubChem CID47371785
Molecular FormulaC11H16N2O3S
Molecular Weight256.33 g/mol
Exact Mass256.09
IUPAC NameN-[4-[(ethylsulfonylamino)methyl]phenyl]acetamide
SMILESCCS(=O)(=O)NCc1ccc(NC(C)=O)cc1
InChIInChI=1S/C11H16N2O3S/c1-3-17(15,16)12-8-10-4-6-11(7-5-10)13-9(2)14/h4-7,12H,3,8H2,1-2H3,(H,13,14)
InChIKeyAKXXHVVOYVJWAY-UHFFFAOYSA-N
XLogP1.08
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-[(ethylsulfonylamino)methyl]anilino]-3-oxopropanoic acid
CID 21074179
N-[4-(benzenesulfonamidomethyl)phenyl]acetamide
CID 32683830
N-[4-[(4-propylphenyl)methylsulfamoyl]phenyl]acetamide
CID 110780438
N-[4-[(4-methylphenyl)methylsulfamoyl]phenyl]acetamide
CID 669174
N-[4-[[4-(dimethylamino)phenyl]methylsulfamoyl]phenyl]acetamide
CID 9031624
[4-[[(4-acetamidophenyl)sulfonylamino]methyl]phenyl]methyl-dimethylazanium
CID 9191327
N-[(4-phenylphenyl)methyl]ethanesulfonamide
CID 110781116
N-[4-[[(2,5-dimethylthiophen-3-yl)sulfonylamino]methyl]phenyl]acetamide
CID 32684135
N-[4-[(4-propan-2-yloxyphenyl)methylsulfamoyl]phenyl]acetamide
CID 53281637
N-[4-[(2-methoxyethoxyamino)methyl]phenyl]acetamide
CID 82711615
N-[4-[[4-(pyrrolidin-1-ylmethyl)phenyl]methylsulfamoyl]phenyl]acetamide
CID 26531816
2-[(4-acetamidophenyl)methylamino]acetamide
CID 16773031

Frequently Asked Questions

What is the IUPAC name of N-[4-[(ethylsulfonylamino)methyl]phenyl]acetamide?
The IUPAC name of N-[4-[(ethylsulfonylamino)methyl]phenyl]acetamide (CID 47371785) is N-[4-[(ethylsulfonylamino)methyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[(ethylsulfonylamino)methyl]phenyl]acetamide?
The canonical SMILES for N-[4-[(ethylsulfonylamino)methyl]phenyl]acetamide is CCS(=O)(=O)NCc1ccc(NC(C)=O)cc1.
What is the InChIKey of N-[4-[(ethylsulfonylamino)methyl]phenyl]acetamide?
The InChIKey is AKXXHVVOYVJWAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3S/c1-3-17(15,16)12-8-10-4-6-11(7-5-10)13-9(2)14/h4-7,12H,3,8H2,1-2H3,(H,13,14).
What are the key properties of N-[4-[(ethylsulfonylamino)methyl]phenyl]acetamide?
N-[4-[(ethylsulfonylamino)methyl]phenyl]acetamide has a molecular weight of 256.33 g/mol, XLogP of 1.08, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(ethylsulfonylamino)methyl]phenyl]acetamide is sourced from PubChem (CID 47371785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).