N-[(2-bromophenyl)methyl]-N-methyl-4-(thiophen-2-ylsulfonylamino)benzamide

C19H17BrN2O3S2 — CID 26555339

IUPACN-[(2-bromophenyl)methyl]-N-methyl-4-(thiophen-2-ylsulfonylamino)benzamide
SMILESCN(Cc1ccccc1Br)C(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1
InChIInChI=1S/C19H17BrN2O3S2/c1-22(13-15-5-2-3-6-17(15)20)19(23)14-8-10-16(11-9-14)21-27(24,25)18-7-4-12-26-18/h2-12,21H,13H2,1H3
InChIKeyKYPSXXWPLMQWBI-UHFFFAOYSA-N
MW465.39 g/mol
LogP4.58
Rot. Bonds6

About N-[(2-bromophenyl)methyl]-N-methyl-4-(thiophen-2-ylsulfonylamino)benzamide

N-[(2-bromophenyl)methyl]-N-methyl-4-(thiophen-2-ylsulfonylamino)benzamide (PubChem CID 26555339) has the molecular formula C19H17BrN2O3S2 and a molecular weight of 465.39 g/mol. Its IUPAC name is N-[(2-bromophenyl)methyl]-N-methyl-4-(thiophen-2-ylsulfonylamino)benzamide.

Molecular Properties

Compound NameN-[(2-bromophenyl)methyl]-N-methyl-4-(thiophen-2-ylsulfonylamino)benzamide
PubChem CID26555339
Molecular FormulaC19H17BrN2O3S2
Molecular Weight465.39 g/mol
Exact Mass463.99
IUPAC NameN-[(2-bromophenyl)methyl]-N-methyl-4-(thiophen-2-ylsulfonylamino)benzamide
SMILESCN(Cc1ccccc1Br)C(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1
InChIInChI=1S/C19H17BrN2O3S2/c1-22(13-15-5-2-3-6-17(15)20)19(23)14-8-10-16(11-9-14)21-27(24,25)18-7-4-12-26-18/h2-12,21H,13H2,1H3
InChIKeyKYPSXXWPLMQWBI-UHFFFAOYSA-N
XLogP4.58
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.39
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-4-(thiophen-2-ylsulfonylamino)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 55347513
N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-4-(thiophen-2-ylsulfonylamino)benzamide
CID 31843072
N-benzyl-N-butan-2-yl-4-(thiophen-2-ylsulfonylamino)benzamide
CID 56536537
N-[(2-methoxyphenyl)methyl]-4-(thiophen-2-ylsulfonylamino)benzamide
CID 15997618
N-[(2-bromophenyl)methyl]-N-methyl-4-methylsulfinylbenzamide
CID 78794386
N-benzyl-2-hydroxy-N-methyl-4-(thiophen-2-ylsulfonylamino)benzamide
CID 78847492
methyl 2-[[4-(thiophen-2-ylsulfonylamino)benzoyl]amino]acetate
CID 8840841
N-methyl-N-[(2-methylphenyl)methyl]-4-(phenylsulfamoyl)benzamide
CID 9368880
N-[2-[(2-bromophenyl)methyl-methylamino]-2-oxoethyl]thiophene-2-carboxamide
CID 31215629
[(2S)-1-(benzylamino)-1-oxopropan-2-yl] 4-(thiophen-2-ylsulfonylamino)benzoate
CID 97064358
N-[4-[benzyl(methyl)amino]phenyl]thiophene-2-sulfonamide
CID 112982346
N-[4-(N-methylanilino)phenyl]thiophene-2-sulfonamide
CID 112986152

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromophenyl)methyl]-N-methyl-4-(thiophen-2-ylsulfonylamino)benzamide?
The IUPAC name of N-[(2-bromophenyl)methyl]-N-methyl-4-(thiophen-2-ylsulfonylamino)benzamide (CID 26555339) is N-[(2-bromophenyl)methyl]-N-methyl-4-(thiophen-2-ylsulfonylamino)benzamide.
What is the SMILES notation for N-[(2-bromophenyl)methyl]-N-methyl-4-(thiophen-2-ylsulfonylamino)benzamide?
The canonical SMILES for N-[(2-bromophenyl)methyl]-N-methyl-4-(thiophen-2-ylsulfonylamino)benzamide is CN(Cc1ccccc1Br)C(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1.
What is the InChIKey of N-[(2-bromophenyl)methyl]-N-methyl-4-(thiophen-2-ylsulfonylamino)benzamide?
The InChIKey is KYPSXXWPLMQWBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17BrN2O3S2/c1-22(13-15-5-2-3-6-17(15)20)19(23)14-8-10-16(11-9-14)21-27(24,25)18-7-4-12-26-18/h2-12,21H,13H2,1H3.
What are the key properties of N-[(2-bromophenyl)methyl]-N-methyl-4-(thiophen-2-ylsulfonylamino)benzamide?
N-[(2-bromophenyl)methyl]-N-methyl-4-(thiophen-2-ylsulfonylamino)benzamide has a molecular weight of 465.39 g/mol, XLogP of 4.58, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromophenyl)methyl]-N-methyl-4-(thiophen-2-ylsulfonylamino)benzamide is sourced from PubChem (CID 26555339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).