N-[2,4-dimethyl-5-(phenylsulfamoyl)phenyl]acetamide

C16H18N2O3S — CID 7312196

IUPACN-[2,4-dimethyl-5-(phenylsulfamoyl)phenyl]acetamide
SMILESCC(=O)Nc1cc(S(=O)(=O)Nc2ccccc2)c(C)cc1C
InChIInChI=1S/C16H18N2O3S/c1-11-9-12(2)16(10-15(11)17-13(3)19)22(20,21)18-14-7-5-4-6-8-14/h4-10,18H,1-3H3,(H,17,19)
InChIKeyFRKHCDRGSIRQAR-UHFFFAOYSA-N
MW318.40 g/mol
LogP3.06
Rot. Bonds4

About N-[2,4-dimethyl-5-(phenylsulfamoyl)phenyl]acetamide

N-[2,4-dimethyl-5-(phenylsulfamoyl)phenyl]acetamide (PubChem CID 7312196) has the molecular formula C16H18N2O3S and a molecular weight of 318.40 g/mol. Its IUPAC name is N-[2,4-dimethyl-5-(phenylsulfamoyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[2,4-dimethyl-5-(phenylsulfamoyl)phenyl]acetamide
PubChem CID7312196
Molecular FormulaC16H18N2O3S
Molecular Weight318.40 g/mol
Exact Mass318.10
IUPAC NameN-[2,4-dimethyl-5-(phenylsulfamoyl)phenyl]acetamide
SMILESCC(=O)Nc1cc(S(=O)(=O)Nc2ccccc2)c(C)cc1C
InChIInChI=1S/C16H18N2O3S/c1-11-9-12(2)16(10-15(11)17-13(3)19)22(20,21)18-14-7-5-4-6-8-14/h4-10,18H,1-3H3,(H,17,19)
InChIKeyFRKHCDRGSIRQAR-UHFFFAOYSA-N
XLogP3.06
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Benzenesulfonamide, 5-amino-N-ethyl-2-methyl-N-phenyl-
CID 96649
4-Acetamido-4'-isothiocyanostilbene-2,2'-disulphonic acid
CID 5282250
N-{5-[(dimethylamino)sulfonyl]-2-methylphenyl}-3-phenylpropanamide
CID 2812928
4-Acetamido-4'-isothiocyanatostilbene-2,2'-disulfonic Acid
CID 34025
Disodium 5-acetamido-2-(2-(4-isothiocyanato-2-sulphonatophenyl)vinyl)benzenesulphonate
CID 5702774
N-{4-[(3-methylphenyl)sulfamoyl]phenyl}acetamide
CID 720108
2-(4-ethylanilino)-N-[(4-sulfamoylphenyl)methyl]acetamide
CID 164621917
1-(2,6-Dimethylphenyl)-3-(4-methylphenyl)sulfonylurea
CID 780262
1-(2,4-Dimethylphenyl)-3-(4-methylphenyl)sulfonylurea
CID 849718
1-(3,5-Dimethylphenyl)-3-[5-(dimethylsulfamoyl)-2-methylphenyl]urea
CID 2812298
N-{5-[(dimethylamino)sulfonyl]-2-methylphenyl}cyclohexanecarboxamide
CID 2812913
N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)cyclobutanecarboxamide
CID 7695818

Frequently Asked Questions

What is the IUPAC name of N-[2,4-dimethyl-5-(phenylsulfamoyl)phenyl]acetamide?
The IUPAC name of N-[2,4-dimethyl-5-(phenylsulfamoyl)phenyl]acetamide (CID 7312196) is N-[2,4-dimethyl-5-(phenylsulfamoyl)phenyl]acetamide.
What is the SMILES notation for N-[2,4-dimethyl-5-(phenylsulfamoyl)phenyl]acetamide?
The canonical SMILES for N-[2,4-dimethyl-5-(phenylsulfamoyl)phenyl]acetamide is CC(=O)Nc1cc(S(=O)(=O)Nc2ccccc2)c(C)cc1C.
What is the InChIKey of N-[2,4-dimethyl-5-(phenylsulfamoyl)phenyl]acetamide?
The InChIKey is FRKHCDRGSIRQAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3S/c1-11-9-12(2)16(10-15(11)17-13(3)19)22(20,21)18-14-7-5-4-6-8-14/h4-10,18H,1-3H3,(H,17,19).
What are the key properties of N-[2,4-dimethyl-5-(phenylsulfamoyl)phenyl]acetamide?
N-[2,4-dimethyl-5-(phenylsulfamoyl)phenyl]acetamide has a molecular weight of 318.40 g/mol, XLogP of 3.06, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,4-dimethyl-5-(phenylsulfamoyl)phenyl]acetamide is sourced from PubChem (CID 7312196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).