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

C17H21N3O3S — CID 9031624

IUPACN-[4-[[4-(dimethylamino)phenyl]methylsulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)NCc2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C17H21N3O3S/c1-13(21)19-15-6-10-17(11-7-15)24(22,23)18-12-14-4-8-16(9-5-14)20(2)3/h4-11,18H,12H2,1-3H3,(H,19,21)
InChIKeyLBYUBTKMAPWBGT-UHFFFAOYSA-N
MW347.44 g/mol
LogP2.19
Rot. Bonds6

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

N-[4-[[4-(dimethylamino)phenyl]methylsulfamoyl]phenyl]acetamide (PubChem CID 9031624) has the molecular formula C17H21N3O3S and a molecular weight of 347.44 g/mol. Its IUPAC name is N-[4-[[4-(dimethylamino)phenyl]methylsulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[4-(dimethylamino)phenyl]methylsulfamoyl]phenyl]acetamide
PubChem CID9031624
Molecular FormulaC17H21N3O3S
Molecular Weight347.44 g/mol
Exact Mass347.13
IUPAC NameN-[4-[[4-(dimethylamino)phenyl]methylsulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)NCc2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C17H21N3O3S/c1-13(21)19-15-6-10-17(11-7-15)24(22,23)18-12-14-4-8-16(9-5-14)20(2)3/h4-11,18H,12H2,1-3H3,(H,19,21)
InChIKeyLBYUBTKMAPWBGT-UHFFFAOYSA-N
XLogP2.19
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N-[4-[(4-methylphenyl)methylsulfamoyl]phenyl]acetamide
CID 669174
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-[2-[(4-acetamidophenyl)sulfonylamino]ethyl]-4-(dimethylamino)benzamide
CID 108574896
N-[4-[(4-propan-2-yloxyphenyl)methylsulfamoyl]phenyl]acetamide
CID 53281637
N-[4-[[4-(pyrrolidin-1-ylmethyl)phenyl]methylsulfamoyl]phenyl]acetamide
CID 26531816
N-[4-(1,3-benzoxazol-6-ylmethylsulfamoyl)phenyl]acetamide
CID 110785059
3,5-dichloro-N-[[4-(dimethylamino)phenyl]methyl]benzenesulfonamide
CID 3822716
N-[4-[(ethylsulfonylamino)methyl]phenyl]acetamide
CID 47371785
N-[[4-(dimethylamino)phenyl]methyl]-4-(2,5-dioxopyrrolidin-1-yl)benzenesulfonamide
CID 100541305
N-[[4-(benzylsulfamoyl)phenyl]carbamothioyl]acetamide
CID 4929109

Frequently Asked Questions

What is the IUPAC name of N-[4-[[4-(dimethylamino)phenyl]methylsulfamoyl]phenyl]acetamide?
The IUPAC name of N-[4-[[4-(dimethylamino)phenyl]methylsulfamoyl]phenyl]acetamide (CID 9031624) is N-[4-[[4-(dimethylamino)phenyl]methylsulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[4-(dimethylamino)phenyl]methylsulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[4-(dimethylamino)phenyl]methylsulfamoyl]phenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)NCc2ccc(N(C)C)cc2)cc1.
What is the InChIKey of N-[4-[[4-(dimethylamino)phenyl]methylsulfamoyl]phenyl]acetamide?
The InChIKey is LBYUBTKMAPWBGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3S/c1-13(21)19-15-6-10-17(11-7-15)24(22,23)18-12-14-4-8-16(9-5-14)20(2)3/h4-11,18H,12H2,1-3H3,(H,19,21).
What are the key properties of N-[4-[[4-(dimethylamino)phenyl]methylsulfamoyl]phenyl]acetamide?
N-[4-[[4-(dimethylamino)phenyl]methylsulfamoyl]phenyl]acetamide has a molecular weight of 347.44 g/mol, XLogP of 2.19, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[4-(dimethylamino)phenyl]methylsulfamoyl]phenyl]acetamide is sourced from PubChem (CID 9031624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).