N-[3-(dimethylsulfamoyl)phenyl]-4-(thiophen-2-ylsulfonylamino)benzamide

C19H19N3O5S3 — CID 3313986

IUPACN-[3-(dimethylsulfamoyl)phenyl]-4-(thiophen-2-ylsulfonylamino)benzamide
SMILESCN(C)S(=O)(=O)c1cccc(NC(=O)c2ccc(NS(=O)(=O)c3cccs3)cc2)c1
InChIInChI=1S/C19H19N3O5S3/c1-22(2)30(26,27)17-6-3-5-16(13-17)20-19(23)14-8-10-15(11-9-14)21-29(24,25)18-7-4-12-28-18/h3-13,21H,1-2H3,(H,20,23)
InChIKeyGAQBOKVBHIFTPC-UHFFFAOYSA-N
MW465.58 g/mol
LogP3.05
Rot. Bonds7

About N-[3-(dimethylsulfamoyl)phenyl]-4-(thiophen-2-ylsulfonylamino)benzamide

N-[3-(dimethylsulfamoyl)phenyl]-4-(thiophen-2-ylsulfonylamino)benzamide (PubChem CID 3313986) has the molecular formula C19H19N3O5S3 and a molecular weight of 465.58 g/mol. Its IUPAC name is N-[3-(dimethylsulfamoyl)phenyl]-4-(thiophen-2-ylsulfonylamino)benzamide.

Molecular Properties

Compound NameN-[3-(dimethylsulfamoyl)phenyl]-4-(thiophen-2-ylsulfonylamino)benzamide
PubChem CID3313986
Molecular FormulaC19H19N3O5S3
Molecular Weight465.58 g/mol
Exact Mass465.05
IUPAC NameN-[3-(dimethylsulfamoyl)phenyl]-4-(thiophen-2-ylsulfonylamino)benzamide
SMILESCN(C)S(=O)(=O)c1cccc(NC(=O)c2ccc(NS(=O)(=O)c3cccs3)cc2)c1
InChIInChI=1S/C19H19N3O5S3/c1-22(2)30(26,27)17-6-3-5-16(13-17)20-19(23)14-8-10-15(11-9-14)21-29(24,25)18-7-4-12-28-18/h3-13,21H,1-2H3,(H,20,23)
InChIKeyGAQBOKVBHIFTPC-UHFFFAOYSA-N
XLogP3.05
TPSA112.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.58
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

HDAC inhibitor, Compound 1
CID 6918878
4-[(Thiophen-2-ylacetyl)amino]benzamide
CID 670145
N-[4-(piperidine-1-carbonyl)phenyl]thiophene-2-carboxamide
CID 761867
N-[4-(4-methylpiperidine-1-carbonyl)phenyl]thiophene-2-carboxamide
CID 885311
5-methyl-N-[4-(methylsulfamoyl)phenyl]thiophene-3-carboxamide
CID 1247495
2-methylsulfonyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 2461859
N-[(4-sulfamoylphenyl)methyl]-4-(thiophen-2-ylsulfonylamino)benzamide
CID 2527187
N-[5-(dimethylsulfamoyl)-2-methylphenyl]thiophene-2-carboxamide
CID 2811895
N-methyl-N-[4-(piperidine-1-carbonyl)phenyl]thiophene-2-sulfonamide
CID 2989171
N-[3-(dimethylsulfamoyl)phenyl]-2-thiophen-3-ylacetamide
CID 4805705
2-(4-acetyl-N-(4-methylphenyl)sulfonylanilino)-N-(1,1-dioxothiolan-3-yl)acetamide
CID 4846487
N-[3-(dimethylsulfamoyl)phenyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 4875218

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylsulfamoyl)phenyl]-4-(thiophen-2-ylsulfonylamino)benzamide?
The IUPAC name of N-[3-(dimethylsulfamoyl)phenyl]-4-(thiophen-2-ylsulfonylamino)benzamide (CID 3313986) is N-[3-(dimethylsulfamoyl)phenyl]-4-(thiophen-2-ylsulfonylamino)benzamide.
What is the SMILES notation for N-[3-(dimethylsulfamoyl)phenyl]-4-(thiophen-2-ylsulfonylamino)benzamide?
The canonical SMILES for N-[3-(dimethylsulfamoyl)phenyl]-4-(thiophen-2-ylsulfonylamino)benzamide is CN(C)S(=O)(=O)c1cccc(NC(=O)c2ccc(NS(=O)(=O)c3cccs3)cc2)c1.
What is the InChIKey of N-[3-(dimethylsulfamoyl)phenyl]-4-(thiophen-2-ylsulfonylamino)benzamide?
The InChIKey is GAQBOKVBHIFTPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O5S3/c1-22(2)30(26,27)17-6-3-5-16(13-17)20-19(23)14-8-10-15(11-9-14)21-29(24,25)18-7-4-12-28-18/h3-13,21H,1-2H3,(H,20,23).
What are the key properties of N-[3-(dimethylsulfamoyl)phenyl]-4-(thiophen-2-ylsulfonylamino)benzamide?
N-[3-(dimethylsulfamoyl)phenyl]-4-(thiophen-2-ylsulfonylamino)benzamide has a molecular weight of 465.58 g/mol, XLogP of 3.05, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylsulfamoyl)phenyl]-4-(thiophen-2-ylsulfonylamino)benzamide is sourced from PubChem (CID 3313986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).