N-[4-[(4-methylphenyl)methylsulfamoyl]phenyl]acetamide

C16H18N2O3S — CID 669174

IUPACN-[4-[(4-methylphenyl)methylsulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)NCc2ccc(C)cc2)cc1
InChIInChI=1S/C16H18N2O3S/c1-12-3-5-14(6-4-12)11-17-22(20,21)16-9-7-15(8-10-16)18-13(2)19/h3-10,17H,11H2,1-2H3,(H,18,19)
InChIKeyMKGMVICRGSWZJS-UHFFFAOYSA-N
MW318.40 g/mol
LogP2.43
Rot. Bonds5

About N-[4-[(4-methylphenyl)methylsulfamoyl]phenyl]acetamide

N-[4-[(4-methylphenyl)methylsulfamoyl]phenyl]acetamide (PubChem CID 669174) has the molecular formula C16H18N2O3S and a molecular weight of 318.40 g/mol. Its IUPAC name is N-[4-[(4-methylphenyl)methylsulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(4-methylphenyl)methylsulfamoyl]phenyl]acetamide
PubChem CID669174
Molecular FormulaC16H18N2O3S
Molecular Weight318.40 g/mol
Exact Mass318.10
IUPAC NameN-[4-[(4-methylphenyl)methylsulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)NCc2ccc(C)cc2)cc1
InChIInChI=1S/C16H18N2O3S/c1-12-3-5-14(6-4-12)11-17-22(20,21)16-9-7-15(8-10-16)18-13(2)19/h3-10,17H,11H2,1-2H3,(H,18,19)
InChIKeyMKGMVICRGSWZJS-UHFFFAOYSA-N
XLogP2.43
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-acetamidophenyl)sulfonylamino]-N-[(4-methylphenyl)methyl]acetamide
CID 112992301
N-[4-(benzenesulfonamidomethyl)phenyl]acetamide
CID 32683830
N-[4-[(4-propylphenyl)methylsulfamoyl]phenyl]acetamide
CID 110780438
[4-[[(4-acetamidophenyl)sulfonylamino]methyl]phenyl]methyl-dimethylazanium
CID 9191327
N-[4-[[4-(dimethylamino)phenyl]methylsulfamoyl]phenyl]acetamide
CID 9031624
N-[4-[(4-propan-2-yloxyphenyl)methylsulfamoyl]phenyl]acetamide
CID 53281637
4-[[(4-acetamidophenyl)sulfonylamino]methyl]-N-[(2,4-dimethylphenyl)methyl]benzamide
CID 55595158
N-[4-[[4-(pyrrolidin-1-ylmethyl)phenyl]methylsulfamoyl]phenyl]acetamide
CID 26531816
[4-[[(4-methylphenyl)sulfonylamino]methyl]phenyl] acetate
CID 177425846
2-(4-acetamidophenyl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]acetamide
CID 55377318
N-[(4-bromophenyl)methyl]-4-methylbenzenesulfonamide
CID 3370668
N-[[4-(aminomethyl)phenyl]methyl]-4-methylbenzenesulfonamide
CID 60919101

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-methylphenyl)methylsulfamoyl]phenyl]acetamide?
The IUPAC name of N-[4-[(4-methylphenyl)methylsulfamoyl]phenyl]acetamide (CID 669174) is N-[4-[(4-methylphenyl)methylsulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[(4-methylphenyl)methylsulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[(4-methylphenyl)methylsulfamoyl]phenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)NCc2ccc(C)cc2)cc1.
What is the InChIKey of N-[4-[(4-methylphenyl)methylsulfamoyl]phenyl]acetamide?
The InChIKey is MKGMVICRGSWZJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3S/c1-12-3-5-14(6-4-12)11-17-22(20,21)16-9-7-15(8-10-16)18-13(2)19/h3-10,17H,11H2,1-2H3,(H,18,19).
What are the key properties of N-[4-[(4-methylphenyl)methylsulfamoyl]phenyl]acetamide?
N-[4-[(4-methylphenyl)methylsulfamoyl]phenyl]acetamide has a molecular weight of 318.40 g/mol, XLogP of 2.43, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-methylphenyl)methylsulfamoyl]phenyl]acetamide is sourced from PubChem (CID 669174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).