N-[4-(carbamoylamino)phenyl]-4-(dimethylsulfamoyl)benzamide

C16H18N4O4S — CID 33152473

IUPACN-[4-(carbamoylamino)phenyl]-4-(dimethylsulfamoyl)benzamide
SMILESCN(C)S(=O)(=O)c1ccc(C(=O)Nc2ccc(NC(N)=O)cc2)cc1
InChIInChI=1S/C16H18N4O4S/c1-20(2)25(23,24)14-9-3-11(4-10-14)15(21)18-12-5-7-13(8-6-12)19-16(17)22/h3-10H,1-2H3,(H,18,21)(H3,17,19,22)
InChIKeyKRBKJCPHVHDDPU-UHFFFAOYSA-N
MW362.41 g/mol
LogP1.68
Rot. Bonds5

About N-[4-(carbamoylamino)phenyl]-4-(dimethylsulfamoyl)benzamide

N-[4-(carbamoylamino)phenyl]-4-(dimethylsulfamoyl)benzamide (PubChem CID 33152473) has the molecular formula C16H18N4O4S and a molecular weight of 362.41 g/mol. Its IUPAC name is N-[4-(carbamoylamino)phenyl]-4-(dimethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[4-(carbamoylamino)phenyl]-4-(dimethylsulfamoyl)benzamide
PubChem CID33152473
Molecular FormulaC16H18N4O4S
Molecular Weight362.41 g/mol
Exact Mass362.10
IUPAC NameN-[4-(carbamoylamino)phenyl]-4-(dimethylsulfamoyl)benzamide
SMILESCN(C)S(=O)(=O)c1ccc(C(=O)Nc2ccc(NC(N)=O)cc2)cc1
InChIInChI=1S/C16H18N4O4S/c1-20(2)25(23,24)14-9-3-11(4-10-14)15(21)18-12-5-7-13(8-6-12)19-16(17)22/h3-10H,1-2H3,(H,18,21)(H3,17,19,22)
InChIKeyKRBKJCPHVHDDPU-UHFFFAOYSA-N
XLogP1.68
TPSA121.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.41
LogP ≤ 51.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[4-(dimethylsulfamoyl)benzoyl]amino]benzoate
CID 6978549
4-(dimethylsulfamoyl)-N-(4-methylsulfonylphenyl)benzamide
CID 4845311
N-[4-(dimethylamino)phenyl]-4-(dimethylsulfamoyl)benzamide
CID 110756571
4-(dimethylsulfamoyl)-N-[4-(phenylcarbamoylamino)phenyl]benzamide
CID 18289472
4-(dimethylsulfamoyl)-N-[4-(phenylsulfamoyl)phenyl]benzamide
CID 24638138
N-[4-(dimethylsulfamoyl)phenyl]-4-nitrobenzamide
CID 2672860
N-[4-(dimethylsulfamoyl)phenyl]-4-ethoxybenzamide
CID 2672905
4-(dimethylsulfamoyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide
CID 4671821
N-[4-(butylamino)phenyl]-4-(dimethylsulfamoyl)benzamide
CID 112980242
N-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]-4-(dimethylsulfamoyl)benzamide
CID 24636547
N-(4-bromo-3-methylphenyl)-4-(dimethylsulfamoyl)benzamide
CID 4264331
4-(dimethylsulfamoyl)-N-(4-fluoro-3-methylphenyl)benzamide
CID 110776363

Frequently Asked Questions

What is the IUPAC name of N-[4-(carbamoylamino)phenyl]-4-(dimethylsulfamoyl)benzamide?
The IUPAC name of N-[4-(carbamoylamino)phenyl]-4-(dimethylsulfamoyl)benzamide (CID 33152473) is N-[4-(carbamoylamino)phenyl]-4-(dimethylsulfamoyl)benzamide.
What is the SMILES notation for N-[4-(carbamoylamino)phenyl]-4-(dimethylsulfamoyl)benzamide?
The canonical SMILES for N-[4-(carbamoylamino)phenyl]-4-(dimethylsulfamoyl)benzamide is CN(C)S(=O)(=O)c1ccc(C(=O)Nc2ccc(NC(N)=O)cc2)cc1.
What is the InChIKey of N-[4-(carbamoylamino)phenyl]-4-(dimethylsulfamoyl)benzamide?
The InChIKey is KRBKJCPHVHDDPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O4S/c1-20(2)25(23,24)14-9-3-11(4-10-14)15(21)18-12-5-7-13(8-6-12)19-16(17)22/h3-10H,1-2H3,(H,18,21)(H3,17,19,22).
What are the key properties of N-[4-(carbamoylamino)phenyl]-4-(dimethylsulfamoyl)benzamide?
N-[4-(carbamoylamino)phenyl]-4-(dimethylsulfamoyl)benzamide has a molecular weight of 362.41 g/mol, XLogP of 1.68, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(carbamoylamino)phenyl]-4-(dimethylsulfamoyl)benzamide is sourced from PubChem (CID 33152473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).