N-[4-(dimethylcarbamoylamino)phenyl]sulfonylbenzamide;ethane;methane

C19H27N3O4S — CID 160542881

IUPACN-[4-(dimethylcarbamoylamino)phenyl]sulfonylbenzamide;ethane;methane
SMILESC.CC.CN(C)C(=O)Nc1ccc(S(=O)(=O)NC(=O)c2ccccc2)cc1
InChIInChI=1S/C16H17N3O4S.C2H6.CH4/c1-19(2)16(21)17-13-8-10-14(11-9-13)24(22,23)18-15(20)12-6-4-3-5-7-12;1-2;/h3-11H,1-2H3,(H,17,21)(H,18,20);1-2H3;1H4
InChIKeyQXAIRAZOTXHDKN-UHFFFAOYSA-N
MW393.51 g/mol
LogP3.56
Rot. Bonds4

About N-[4-(dimethylcarbamoylamino)phenyl]sulfonylbenzamide;ethane;methane

N-[4-(dimethylcarbamoylamino)phenyl]sulfonylbenzamide;ethane;methane (PubChem CID 160542881) has the molecular formula C19H27N3O4S and a molecular weight of 393.51 g/mol. Its IUPAC name is N-[4-(dimethylcarbamoylamino)phenyl]sulfonylbenzamide;ethane;methane.

Molecular Properties

Compound NameN-[4-(dimethylcarbamoylamino)phenyl]sulfonylbenzamide;ethane;methane
PubChem CID160542881
Molecular FormulaC19H27N3O4S
Molecular Weight393.51 g/mol
Exact Mass393.17
IUPAC NameN-[4-(dimethylcarbamoylamino)phenyl]sulfonylbenzamide;ethane;methane
SMILESC.CC.CN(C)C(=O)Nc1ccc(S(=O)(=O)NC(=O)c2ccccc2)cc1
InChIInChI=1S/C16H17N3O4S.C2H6.CH4/c1-19(2)16(21)17-13-8-10-14(11-9-13)24(22,23)18-15(20)12-6-4-3-5-7-12;1-2;/h3-11H,1-2H3,(H,17,21)(H,18,20);1-2H3;1H4
InChIKeyQXAIRAZOTXHDKN-UHFFFAOYSA-N
XLogP3.56
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.51
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(dimethylcarbamoylamino)phenyl]sulfonylfuran-2-carboxamide
CID 15097316
N-[4-(acetylsulfamoyl)phenyl]-4-benzamidobenzamide
CID 17153285
lithium;hydride;N-(4-methylphenyl)sulfonylbenzamide
CID 173095463
N-[4-[(3-methylphenyl)carbamoylamino]phenyl]sulfonylbenzamide
CID 22921487
N-[4-(benzoylsulfamoyl)phenyl]-1-methyl-3-phenylpyrazole-5-carboxamide
CID 118947290
N-[4-[(2-hydrazinyl-2-oxoacetyl)sulfamoyl]phenyl]benzamide
CID 21204126
4-methoxy-N-[4-(phenylcarbamothioylamino)phenyl]sulfonylbenzamide
CID 22921499
4-N-(benzenesulfonyl)-1-N-methylbenzene-1,4-dicarboxamide
CID 90126567
N-[4-(benzoylsulfamoyl)phenyl]oxolane-2-carboxamide
CID 2970623
4-(dimethylsulfamoyl)-N-[4-(phenylsulfamoyl)phenyl]benzamide
CID 24638138
N-[4-[[3-[(4-benzamidophenyl)sulfonylcarbamoylamino]-4-methylphenyl]carbamoylsulfamoyl]phenyl]benzamide
CID 139878369
4-amino-N-(benzenesulfonyl)benzamide
CID 12876556

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylcarbamoylamino)phenyl]sulfonylbenzamide;ethane;methane?
The IUPAC name of N-[4-(dimethylcarbamoylamino)phenyl]sulfonylbenzamide;ethane;methane (CID 160542881) is N-[4-(dimethylcarbamoylamino)phenyl]sulfonylbenzamide;ethane;methane.
What is the SMILES notation for N-[4-(dimethylcarbamoylamino)phenyl]sulfonylbenzamide;ethane;methane?
The canonical SMILES for N-[4-(dimethylcarbamoylamino)phenyl]sulfonylbenzamide;ethane;methane is C.CC.CN(C)C(=O)Nc1ccc(S(=O)(=O)NC(=O)c2ccccc2)cc1.
What is the InChIKey of N-[4-(dimethylcarbamoylamino)phenyl]sulfonylbenzamide;ethane;methane?
The InChIKey is QXAIRAZOTXHDKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O4S.C2H6.CH4/c1-19(2)16(21)17-13-8-10-14(11-9-13)24(22,23)18-15(20)12-6-4-3-5-7-12;1-2;/h3-11H,1-2H3,(H,17,21)(H,18,20);1-2H3;1H4.
What are the key properties of N-[4-(dimethylcarbamoylamino)phenyl]sulfonylbenzamide;ethane;methane?
N-[4-(dimethylcarbamoylamino)phenyl]sulfonylbenzamide;ethane;methane has a molecular weight of 393.51 g/mol, XLogP of 3.56, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylcarbamoylamino)phenyl]sulfonylbenzamide;ethane;methane is sourced from PubChem (CID 160542881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).