N-[4-methyl-3-[2-(oxolan-2-yl)ethylsulfamoyl]phenyl]acetamide

C15H22N2O4S — CID 51076373

IUPACN-[4-methyl-3-[2-(oxolan-2-yl)ethylsulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(C)c(S(=O)(=O)NCCC2CCCO2)c1
InChIInChI=1S/C15H22N2O4S/c1-11-5-6-13(17-12(2)18)10-15(11)22(19,20)16-8-7-14-4-3-9-21-14/h5-6,10,14,16H,3-4,7-9H2,1-2H3,(H,17,18)
InChIKeyOPFDRYIENSDSID-UHFFFAOYSA-N
MW326.42 g/mol
LogP1.80
Rot. Bonds6

About N-[4-methyl-3-[2-(oxolan-2-yl)ethylsulfamoyl]phenyl]acetamide

N-[4-methyl-3-[2-(oxolan-2-yl)ethylsulfamoyl]phenyl]acetamide (PubChem CID 51076373) has the molecular formula C15H22N2O4S and a molecular weight of 326.42 g/mol. Its IUPAC name is N-[4-methyl-3-[2-(oxolan-2-yl)ethylsulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-methyl-3-[2-(oxolan-2-yl)ethylsulfamoyl]phenyl]acetamide
PubChem CID51076373
Molecular FormulaC15H22N2O4S
Molecular Weight326.42 g/mol
Exact Mass326.13
IUPAC NameN-[4-methyl-3-[2-(oxolan-2-yl)ethylsulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(C)c(S(=O)(=O)NCCC2CCCO2)c1
InChIInChI=1S/C15H22N2O4S/c1-11-5-6-13(17-12(2)18)10-15(11)22(19,20)16-8-7-14-4-3-9-21-14/h5-6,10,14,16H,3-4,7-9H2,1-2H3,(H,17,18)
InChIKeyOPFDRYIENSDSID-UHFFFAOYSA-N
XLogP1.80
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-5-nitro-N-[2-[(2S)-oxolan-2-yl]ethyl]benzenesulfonamide
CID 31811302
4-amino-2-methyl-N-[2-(oxolan-2-yl)ethyl]benzenesulfonamide
CID 61127442
2-methyl-3-[2-(oxolan-2-yl)ethylsulfamoyl]benzoic acid
CID 63743835
3-acetamido-N-[2-(oxolan-2-yl)ethyl]benzamide
CID 110745062
N-[2-(oxolan-2-yl)ethyl]-4-(propylamino)benzenesulfonamide
CID 62159061
N-[3-[(2-amino-2-cyclopropylethyl)sulfamoyl]-4-methylphenyl]acetamide
CID 115301298
ethyl 4-[2-[(2R)-oxolan-2-yl]ethylsulfamoyl]benzoate
CID 94814688
N-[3-[2-(oxolan-2-yl)ethylcarbamothioylamino]phenyl]acetamide
CID 60733960
3-amino-4-fluoro-2,6-dimethyl-N-[2-(oxolan-2-yl)ethyl]benzenesulfonamide
CID 107325726
2-amino-N-[2-(oxolan-2-yl)ethyl]benzenesulfonamide
CID 61125684
2-bromo-N-[2-(oxolan-2-yl)ethyl]benzenesulfonamide
CID 51076370
2,5-dibromo-4-methyl-N-[2-(oxan-2-yl)ethyl]benzenesulfonamide
CID 103990940

Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-3-[2-(oxolan-2-yl)ethylsulfamoyl]phenyl]acetamide?
The IUPAC name of N-[4-methyl-3-[2-(oxolan-2-yl)ethylsulfamoyl]phenyl]acetamide (CID 51076373) is N-[4-methyl-3-[2-(oxolan-2-yl)ethylsulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-methyl-3-[2-(oxolan-2-yl)ethylsulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-methyl-3-[2-(oxolan-2-yl)ethylsulfamoyl]phenyl]acetamide is CC(=O)Nc1ccc(C)c(S(=O)(=O)NCCC2CCCO2)c1.
What is the InChIKey of N-[4-methyl-3-[2-(oxolan-2-yl)ethylsulfamoyl]phenyl]acetamide?
The InChIKey is OPFDRYIENSDSID-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4S/c1-11-5-6-13(17-12(2)18)10-15(11)22(19,20)16-8-7-14-4-3-9-21-14/h5-6,10,14,16H,3-4,7-9H2,1-2H3,(H,17,18).
What are the key properties of N-[4-methyl-3-[2-(oxolan-2-yl)ethylsulfamoyl]phenyl]acetamide?
N-[4-methyl-3-[2-(oxolan-2-yl)ethylsulfamoyl]phenyl]acetamide has a molecular weight of 326.42 g/mol, XLogP of 1.80, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-3-[2-(oxolan-2-yl)ethylsulfamoyl]phenyl]acetamide is sourced from PubChem (CID 51076373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).