N-benzyl-2-hydroxy-N-methyl-4-(thiophen-2-ylsulfonylamino)benzamide

C19H18N2O4S2 — CID 78847492

IUPACN-benzyl-2-hydroxy-N-methyl-4-(thiophen-2-ylsulfonylamino)benzamide
SMILESCN(Cc1ccccc1)C(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1O
InChIInChI=1S/C19H18N2O4S2/c1-21(13-14-6-3-2-4-7-14)19(23)16-10-9-15(12-17(16)22)20-27(24,25)18-8-5-11-26-18/h2-12,20,22H,13H2,1H3
InChIKeyZTCXUUQCAAZKPE-UHFFFAOYSA-N
MW402.50 g/mol
LogP3.53
Rot. Bonds6

About N-benzyl-2-hydroxy-N-methyl-4-(thiophen-2-ylsulfonylamino)benzamide

N-benzyl-2-hydroxy-N-methyl-4-(thiophen-2-ylsulfonylamino)benzamide (PubChem CID 78847492) has the molecular formula C19H18N2O4S2 and a molecular weight of 402.50 g/mol. Its IUPAC name is N-benzyl-2-hydroxy-N-methyl-4-(thiophen-2-ylsulfonylamino)benzamide.

Molecular Properties

Compound NameN-benzyl-2-hydroxy-N-methyl-4-(thiophen-2-ylsulfonylamino)benzamide
PubChem CID78847492
Molecular FormulaC19H18N2O4S2
Molecular Weight402.50 g/mol
Exact Mass402.07
IUPAC NameN-benzyl-2-hydroxy-N-methyl-4-(thiophen-2-ylsulfonylamino)benzamide
SMILESCN(Cc1ccccc1)C(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1O
InChIInChI=1S/C19H18N2O4S2/c1-21(13-14-6-3-2-4-7-14)19(23)16-10-9-15(12-17(16)22)20-27(24,25)18-8-5-11-26-18/h2-12,20,22H,13H2,1H3
InChIKeyZTCXUUQCAAZKPE-UHFFFAOYSA-N
XLogP3.53
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-hydroxy-N-methyl-N-[(5-methylfuran-2-yl)methyl]-4-(thiophen-2-ylsulfonylamino)benzamide
CID 78867303
2-hydroxy-N-methyl-N-[1-(4-methylphenyl)ethyl]-4-(thiophen-2-ylsulfonylamino)benzamide
CID 112821205
N-[4-[benzyl(methyl)amino]phenyl]thiophene-2-sulfonamide
CID 112982346
N-cyclopropyl-N-[(2-fluorophenyl)methyl]-2-hydroxy-4-(thiophen-2-ylsulfonylamino)benzamide
CID 78868137
2-hydroxy-N-pentan-3-yl-4-(thiophen-2-ylsulfonylamino)benzamide
CID 78867915
N-benzyl-N-propan-2-yl-3-(thiophen-2-ylsulfonylamino)benzamide
CID 55909095
N-methyl-4-(thiophen-2-ylsulfonylamino)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 55347513
N-methyl-3-(thiophen-2-ylsulfonylamino)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 55787151
N-(3-hydroxy-4-methylphenyl)thiophene-2-sulfonamide
CID 3790087
2-methyl-4-(thiophen-2-ylsulfonylamino)benzoic acid
CID 56828335
N-benzyl-N-butan-2-yl-4-(thiophen-2-ylsulfonylamino)benzamide
CID 56536537
[2-oxo-2-(4-phenylphenyl)ethyl] 2-hydroxy-4-(thiophen-2-ylsulfonylamino)benzoate
CID 25042549

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-hydroxy-N-methyl-4-(thiophen-2-ylsulfonylamino)benzamide?
The IUPAC name of N-benzyl-2-hydroxy-N-methyl-4-(thiophen-2-ylsulfonylamino)benzamide (CID 78847492) is N-benzyl-2-hydroxy-N-methyl-4-(thiophen-2-ylsulfonylamino)benzamide.
What is the SMILES notation for N-benzyl-2-hydroxy-N-methyl-4-(thiophen-2-ylsulfonylamino)benzamide?
The canonical SMILES for N-benzyl-2-hydroxy-N-methyl-4-(thiophen-2-ylsulfonylamino)benzamide is CN(Cc1ccccc1)C(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1O.
What is the InChIKey of N-benzyl-2-hydroxy-N-methyl-4-(thiophen-2-ylsulfonylamino)benzamide?
The InChIKey is ZTCXUUQCAAZKPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O4S2/c1-21(13-14-6-3-2-4-7-14)19(23)16-10-9-15(12-17(16)22)20-27(24,25)18-8-5-11-26-18/h2-12,20,22H,13H2,1H3.
What are the key properties of N-benzyl-2-hydroxy-N-methyl-4-(thiophen-2-ylsulfonylamino)benzamide?
N-benzyl-2-hydroxy-N-methyl-4-(thiophen-2-ylsulfonylamino)benzamide has a molecular weight of 402.50 g/mol, XLogP of 3.53, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-hydroxy-N-methyl-4-(thiophen-2-ylsulfonylamino)benzamide is sourced from PubChem (CID 78847492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).