2-hydroxy-N-methyl-N-[1-(4-methylphenyl)ethyl]-4-(thiophen-2-ylsulfonylamino)benzamide

C21H22N2O4S2 — CID 112821205

IUPAC2-hydroxy-N-methyl-N-[1-(4-methylphenyl)ethyl]-4-(thiophen-2-ylsulfonylamino)benzamide
SMILESCc1ccc(C(C)N(C)C(=O)c2ccc(NS(=O)(=O)c3cccs3)cc2O)cc1
InChIInChI=1S/C21H22N2O4S2/c1-14-6-8-16(9-7-14)15(2)23(3)21(25)18-11-10-17(13-19(18)24)22-29(26,27)20-5-4-12-28-20/h4-13,15,22,24H,1-3H3
InChIKeyIOKZZSYAUIMRGO-UHFFFAOYSA-N
MW430.55 g/mol
LogP4.40
Rot. Bonds6

About 2-hydroxy-N-methyl-N-[1-(4-methylphenyl)ethyl]-4-(thiophen-2-ylsulfonylamino)benzamide

2-hydroxy-N-methyl-N-[1-(4-methylphenyl)ethyl]-4-(thiophen-2-ylsulfonylamino)benzamide (PubChem CID 112821205) has the molecular formula C21H22N2O4S2 and a molecular weight of 430.55 g/mol. Its IUPAC name is 2-hydroxy-N-methyl-N-[1-(4-methylphenyl)ethyl]-4-(thiophen-2-ylsulfonylamino)benzamide.

Molecular Properties

Compound Name2-hydroxy-N-methyl-N-[1-(4-methylphenyl)ethyl]-4-(thiophen-2-ylsulfonylamino)benzamide
PubChem CID112821205
Molecular FormulaC21H22N2O4S2
Molecular Weight430.55 g/mol
Exact Mass430.10
IUPAC Name2-hydroxy-N-methyl-N-[1-(4-methylphenyl)ethyl]-4-(thiophen-2-ylsulfonylamino)benzamide
SMILESCc1ccc(C(C)N(C)C(=O)c2ccc(NS(=O)(=O)c3cccs3)cc2O)cc1
InChIInChI=1S/C21H22N2O4S2/c1-14-6-8-16(9-7-14)15(2)23(3)21(25)18-11-10-17(13-19(18)24)22-29(26,27)20-5-4-12-28-20/h4-13,15,22,24H,1-3H3
InChIKeyIOKZZSYAUIMRGO-UHFFFAOYSA-N
XLogP4.40
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.55
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-2-hydroxy-N-methyl-4-(thiophen-2-ylsulfonylamino)benzamide
CID 78847492
2-hydroxy-N-methyl-N-[(5-methylfuran-2-yl)methyl]-4-(thiophen-2-ylsulfonylamino)benzamide
CID 78867303
N-(3-hydroxy-4-methylphenyl)thiophene-2-sulfonamide
CID 3790087
2-hydroxy-N-pentan-3-yl-4-(thiophen-2-ylsulfonylamino)benzamide
CID 78867915
N-[1-(furan-2-yl)ethyl]-2-hydroxy-4-(thiophen-2-ylsulfonylamino)benzamide
CID 86980610
2-methyl-4-(thiophen-2-ylsulfonylamino)benzoic acid
CID 56828335
N-[4-(1-hydroxyethyl)phenyl]thiophene-2-sulfonamide
CID 43416696
2-hydroxy-N-(2-methylcyclohexyl)-4-(thiophen-2-ylsulfonylamino)benzamide
CID 78867639
N-[4-[(4-methylphenyl)sulfamoyl]phenyl]thiophene-2-sulfonamide
CID 1075762
N-[3-hydroxy-4-(3-methylpiperidine-1-carbonyl)phenyl]thiophene-2-sulfonamide
CID 78847493
N-[cyclopropyl(phenyl)methyl]-2-hydroxy-4-(thiophen-2-ylsulfonylamino)benzamide
CID 78869372
N-cyclopropyl-N-[(2-fluorophenyl)methyl]-2-hydroxy-4-(thiophen-2-ylsulfonylamino)benzamide
CID 78868137

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-methyl-N-[1-(4-methylphenyl)ethyl]-4-(thiophen-2-ylsulfonylamino)benzamide?
The IUPAC name of 2-hydroxy-N-methyl-N-[1-(4-methylphenyl)ethyl]-4-(thiophen-2-ylsulfonylamino)benzamide (CID 112821205) is 2-hydroxy-N-methyl-N-[1-(4-methylphenyl)ethyl]-4-(thiophen-2-ylsulfonylamino)benzamide.
What is the SMILES notation for 2-hydroxy-N-methyl-N-[1-(4-methylphenyl)ethyl]-4-(thiophen-2-ylsulfonylamino)benzamide?
The canonical SMILES for 2-hydroxy-N-methyl-N-[1-(4-methylphenyl)ethyl]-4-(thiophen-2-ylsulfonylamino)benzamide is Cc1ccc(C(C)N(C)C(=O)c2ccc(NS(=O)(=O)c3cccs3)cc2O)cc1.
What is the InChIKey of 2-hydroxy-N-methyl-N-[1-(4-methylphenyl)ethyl]-4-(thiophen-2-ylsulfonylamino)benzamide?
The InChIKey is IOKZZSYAUIMRGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O4S2/c1-14-6-8-16(9-7-14)15(2)23(3)21(25)18-11-10-17(13-19(18)24)22-29(26,27)20-5-4-12-28-20/h4-13,15,22,24H,1-3H3.
What are the key properties of 2-hydroxy-N-methyl-N-[1-(4-methylphenyl)ethyl]-4-(thiophen-2-ylsulfonylamino)benzamide?
2-hydroxy-N-methyl-N-[1-(4-methylphenyl)ethyl]-4-(thiophen-2-ylsulfonylamino)benzamide has a molecular weight of 430.55 g/mol, XLogP of 4.40, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-methyl-N-[1-(4-methylphenyl)ethyl]-4-(thiophen-2-ylsulfonylamino)benzamide is sourced from PubChem (CID 112821205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).