N-(2,3-dimethylphenyl)-3-(thiophen-2-ylsulfonylamino)benzamide

C19H18N2O3S2 — CID 55786528

IUPACN-(2,3-dimethylphenyl)-3-(thiophen-2-ylsulfonylamino)benzamide
SMILESCc1cccc(NC(=O)c2cccc(NS(=O)(=O)c3cccs3)c2)c1C
InChIInChI=1S/C19H18N2O3S2/c1-13-6-3-9-17(14(13)2)20-19(22)15-7-4-8-16(12-15)21-26(23,24)18-10-5-11-25-18/h3-12,21H,1-2H3,(H,20,22)
InChIKeyMBEUQDJTXYOTIU-UHFFFAOYSA-N
MW386.50 g/mol
LogP4.42
Rot. Bonds5

About N-(2,3-dimethylphenyl)-3-(thiophen-2-ylsulfonylamino)benzamide

N-(2,3-dimethylphenyl)-3-(thiophen-2-ylsulfonylamino)benzamide (PubChem CID 55786528) has the molecular formula C19H18N2O3S2 and a molecular weight of 386.50 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-3-(thiophen-2-ylsulfonylamino)benzamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-3-(thiophen-2-ylsulfonylamino)benzamide
PubChem CID55786528
Molecular FormulaC19H18N2O3S2
Molecular Weight386.50 g/mol
Exact Mass386.08
IUPAC NameN-(2,3-dimethylphenyl)-3-(thiophen-2-ylsulfonylamino)benzamide
SMILESCc1cccc(NC(=O)c2cccc(NS(=O)(=O)c3cccs3)c2)c1C
InChIInChI=1S/C19H18N2O3S2/c1-13-6-3-9-17(14(13)2)20-19(22)15-7-4-8-16(12-15)21-26(23,24)18-10-5-11-25-18/h3-12,21H,1-2H3,(H,20,22)
InChIKeyMBEUQDJTXYOTIU-UHFFFAOYSA-N
XLogP4.42
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-fluoro-4-methylphenyl)-3-(thiophen-2-ylsulfonylamino)benzamide
CID 55914376
N-(2,3-dimethylphenyl)-3-(thiophen-2-ylsulfonylamino)naphthalene-2-carboxamide
CID 16624392
N-[2-(2-methylpropoxy)phenyl]-3-(thiophen-2-ylsulfonylamino)benzamide
CID 55989925
N-(2,3-dimethylphenyl)-3-[(3-fluoro-4-methylphenyl)sulfonylamino]benzamide
CID 9342427
N-[2-(methylamino)propyl]-3-(thiophen-2-ylsulfonylamino)benzamide
CID 120826976
N-[(2,4-dimethylphenyl)methyl]-3-(thiophen-2-ylsulfonylamino)benzamide
CID 55830367
N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-3-(thiophen-2-ylsulfonylamino)benzamide
CID 46492108
N-(1-hydroxypropan-2-yl)-3-(thiophen-2-ylsulfonylamino)benzamide
CID 78896710
3-(benzenesulfonamido)-N-(2-methylphenyl)benzamide
CID 9341944
3-(thiophen-2-ylsulfonylamino)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]benzamide
CID 78897587
5-methyl-4-[[3-(thiophen-2-ylsulfonylamino)benzoyl]amino]-1H-pyrazole-3-carboxamide
CID 56571363
N-(2,3-dimethylphenyl)-4-[(3-methylphenyl)sulfamoyl]benzamide
CID 109061685

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-3-(thiophen-2-ylsulfonylamino)benzamide?
The IUPAC name of N-(2,3-dimethylphenyl)-3-(thiophen-2-ylsulfonylamino)benzamide (CID 55786528) is N-(2,3-dimethylphenyl)-3-(thiophen-2-ylsulfonylamino)benzamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-3-(thiophen-2-ylsulfonylamino)benzamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-3-(thiophen-2-ylsulfonylamino)benzamide is Cc1cccc(NC(=O)c2cccc(NS(=O)(=O)c3cccs3)c2)c1C.
What is the InChIKey of N-(2,3-dimethylphenyl)-3-(thiophen-2-ylsulfonylamino)benzamide?
The InChIKey is MBEUQDJTXYOTIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3S2/c1-13-6-3-9-17(14(13)2)20-19(22)15-7-4-8-16(12-15)21-26(23,24)18-10-5-11-25-18/h3-12,21H,1-2H3,(H,20,22).
What are the key properties of N-(2,3-dimethylphenyl)-3-(thiophen-2-ylsulfonylamino)benzamide?
N-(2,3-dimethylphenyl)-3-(thiophen-2-ylsulfonylamino)benzamide has a molecular weight of 386.50 g/mol, XLogP of 4.42, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-3-(thiophen-2-ylsulfonylamino)benzamide is sourced from PubChem (CID 55786528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).