2-hydroxy-N-methyl-N-[(5-methylfuran-2-yl)methyl]-4-(thiophen-2-ylsulfonylamino)benzamide

C18H18N2O5S2 — CID 78867303

IUPAC2-hydroxy-N-methyl-N-[(5-methylfuran-2-yl)methyl]-4-(thiophen-2-ylsulfonylamino)benzamide
SMILESCc1ccc(CN(C)C(=O)c2ccc(NS(=O)(=O)c3cccs3)cc2O)o1
InChIInChI=1S/C18H18N2O5S2/c1-12-5-7-14(25-12)11-20(2)18(22)15-8-6-13(10-16(15)21)19-27(23,24)17-4-3-9-26-17/h3-10,19,21H,11H2,1-2H3
InChIKeyOQRRCODPVHJAOJ-UHFFFAOYSA-N
MW406.49 g/mol
LogP3.43
Rot. Bonds6

About 2-hydroxy-N-methyl-N-[(5-methylfuran-2-yl)methyl]-4-(thiophen-2-ylsulfonylamino)benzamide

2-hydroxy-N-methyl-N-[(5-methylfuran-2-yl)methyl]-4-(thiophen-2-ylsulfonylamino)benzamide (PubChem CID 78867303) has the molecular formula C18H18N2O5S2 and a molecular weight of 406.49 g/mol. Its IUPAC name is 2-hydroxy-N-methyl-N-[(5-methylfuran-2-yl)methyl]-4-(thiophen-2-ylsulfonylamino)benzamide.

Molecular Properties

Compound Name2-hydroxy-N-methyl-N-[(5-methylfuran-2-yl)methyl]-4-(thiophen-2-ylsulfonylamino)benzamide
PubChem CID78867303
Molecular FormulaC18H18N2O5S2
Molecular Weight406.49 g/mol
Exact Mass406.07
IUPAC Name2-hydroxy-N-methyl-N-[(5-methylfuran-2-yl)methyl]-4-(thiophen-2-ylsulfonylamino)benzamide
SMILESCc1ccc(CN(C)C(=O)c2ccc(NS(=O)(=O)c3cccs3)cc2O)o1
InChIInChI=1S/C18H18N2O5S2/c1-12-5-7-14(25-12)11-20(2)18(22)15-8-6-13(10-16(15)21)19-27(23,24)17-4-3-9-26-17/h3-10,19,21H,11H2,1-2H3
InChIKeyOQRRCODPVHJAOJ-UHFFFAOYSA-N
XLogP3.43
TPSA99.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-benzyl-2-hydroxy-N-methyl-4-(thiophen-2-ylsulfonylamino)benzamide
CID 78847492
2-hydroxy-N-methyl-N-[1-(4-methylphenyl)ethyl]-4-(thiophen-2-ylsulfonylamino)benzamide
CID 112821205
N-(3-hydroxy-4-methylphenyl)thiophene-2-sulfonamide
CID 3790087
2-hydroxy-N-pentan-3-yl-4-(thiophen-2-ylsulfonylamino)benzamide
CID 78867915
N-cyclopropyl-N-[(2-fluorophenyl)methyl]-2-hydroxy-4-(thiophen-2-ylsulfonylamino)benzamide
CID 78868137
2-methyl-4-(thiophen-2-ylsulfonylamino)benzoic acid
CID 56828335
N-[1-(furan-2-yl)ethyl]-2-hydroxy-4-(thiophen-2-ylsulfonylamino)benzamide
CID 86980610
N-methyl-N-[(5-methylfuran-2-yl)methyl]-4-[(4-methylphenyl)sulfamoyl]benzamide
CID 4807463
N-methyl-N-[(5-methylfuran-2-yl)methyl]-4-[methyl(thiophen-2-ylsulfonyl)amino]butanamide
CID 24639156
3-[(4-bromophenyl)sulfamoyl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 17479896
N-methyl-N-[(5-methylfuran-2-yl)methyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 27780624
2-hydroxy-4-methoxy-N-methyl-N-(thiophen-2-ylmethyl)benzamide
CID 38560370

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-methyl-N-[(5-methylfuran-2-yl)methyl]-4-(thiophen-2-ylsulfonylamino)benzamide?
The IUPAC name of 2-hydroxy-N-methyl-N-[(5-methylfuran-2-yl)methyl]-4-(thiophen-2-ylsulfonylamino)benzamide (CID 78867303) is 2-hydroxy-N-methyl-N-[(5-methylfuran-2-yl)methyl]-4-(thiophen-2-ylsulfonylamino)benzamide.
What is the SMILES notation for 2-hydroxy-N-methyl-N-[(5-methylfuran-2-yl)methyl]-4-(thiophen-2-ylsulfonylamino)benzamide?
The canonical SMILES for 2-hydroxy-N-methyl-N-[(5-methylfuran-2-yl)methyl]-4-(thiophen-2-ylsulfonylamino)benzamide is Cc1ccc(CN(C)C(=O)c2ccc(NS(=O)(=O)c3cccs3)cc2O)o1.
What is the InChIKey of 2-hydroxy-N-methyl-N-[(5-methylfuran-2-yl)methyl]-4-(thiophen-2-ylsulfonylamino)benzamide?
The InChIKey is OQRRCODPVHJAOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O5S2/c1-12-5-7-14(25-12)11-20(2)18(22)15-8-6-13(10-16(15)21)19-27(23,24)17-4-3-9-26-17/h3-10,19,21H,11H2,1-2H3.
What are the key properties of 2-hydroxy-N-methyl-N-[(5-methylfuran-2-yl)methyl]-4-(thiophen-2-ylsulfonylamino)benzamide?
2-hydroxy-N-methyl-N-[(5-methylfuran-2-yl)methyl]-4-(thiophen-2-ylsulfonylamino)benzamide has a molecular weight of 406.49 g/mol, XLogP of 3.43, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-methyl-N-[(5-methylfuran-2-yl)methyl]-4-(thiophen-2-ylsulfonylamino)benzamide is sourced from PubChem (CID 78867303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).