N-[1-(furan-2-yl)ethyl]-2-hydroxy-4-(thiophen-2-ylsulfonylamino)benzamide

C17H16N2O5S2 — CID 86980610

IUPACN-[1-(furan-2-yl)ethyl]-2-hydroxy-4-(thiophen-2-ylsulfonylamino)benzamide
SMILESCC(NC(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1O)c1ccco1
InChIInChI=1S/C17H16N2O5S2/c1-11(15-4-2-8-24-15)18-17(21)13-7-6-12(10-14(13)20)19-26(22,23)16-5-3-9-25-16/h2-11,19-20H,1H3,(H,18,21)
InChIKeyGHJLVFURRAJUTP-UHFFFAOYSA-N
MW392.46 g/mol
LogP3.34
Rot. Bonds6

About N-[1-(furan-2-yl)ethyl]-2-hydroxy-4-(thiophen-2-ylsulfonylamino)benzamide

N-[1-(furan-2-yl)ethyl]-2-hydroxy-4-(thiophen-2-ylsulfonylamino)benzamide (PubChem CID 86980610) has the molecular formula C17H16N2O5S2 and a molecular weight of 392.46 g/mol. Its IUPAC name is N-[1-(furan-2-yl)ethyl]-2-hydroxy-4-(thiophen-2-ylsulfonylamino)benzamide.

Molecular Properties

Compound NameN-[1-(furan-2-yl)ethyl]-2-hydroxy-4-(thiophen-2-ylsulfonylamino)benzamide
PubChem CID86980610
Molecular FormulaC17H16N2O5S2
Molecular Weight392.46 g/mol
Exact Mass392.05
IUPAC NameN-[1-(furan-2-yl)ethyl]-2-hydroxy-4-(thiophen-2-ylsulfonylamino)benzamide
SMILESCC(NC(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1O)c1ccco1
InChIInChI=1S/C17H16N2O5S2/c1-11(15-4-2-8-24-15)18-17(21)13-7-6-12(10-14(13)20)19-26(22,23)16-5-3-9-25-16/h2-11,19-20H,1H3,(H,18,21)
InChIKeyGHJLVFURRAJUTP-UHFFFAOYSA-N
XLogP3.34
TPSA108.64 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 53.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-hydroxy-N-pentan-3-yl-4-(thiophen-2-ylsulfonylamino)benzamide
CID 78867915
N-[cyclopropyl(phenyl)methyl]-2-hydroxy-4-(thiophen-2-ylsulfonylamino)benzamide
CID 78869372
N-(3-hydroxy-4-methylphenyl)thiophene-2-sulfonamide
CID 3790087
2-hydroxy-N-(2-methylcyclohexyl)-4-(thiophen-2-ylsulfonylamino)benzamide
CID 78867639
2-hydroxy-N-(1-methyl-2-oxoquinolin-7-yl)-4-(thiophen-2-ylsulfonylamino)benzamide
CID 167928414
2-hydroxy-N-methyl-N-[1-(4-methylphenyl)ethyl]-4-(thiophen-2-ylsulfonylamino)benzamide
CID 112821205
2-methyl-4-(thiophen-2-ylsulfonylamino)benzoic acid
CID 56828335
N-benzyl-2-hydroxy-N-methyl-4-(thiophen-2-ylsulfonylamino)benzamide
CID 78847492
N-[3-hydroxy-4-(3-methylpiperidine-1-carbonyl)phenyl]thiophene-2-sulfonamide
CID 78847493
2-hydroxy-N-methyl-N-[(5-methylfuran-2-yl)methyl]-4-(thiophen-2-ylsulfonylamino)benzamide
CID 78867303
4-bromo-2-hydroxy-N-(1-thiophen-2-ylethyl)benzamide
CID 47436073
2-[bis(2-methylpropyl)amino]-5-(thiophen-2-ylsulfonylamino)benzoic acid
CID 46292162

Frequently Asked Questions

What is the IUPAC name of N-[1-(furan-2-yl)ethyl]-2-hydroxy-4-(thiophen-2-ylsulfonylamino)benzamide?
The IUPAC name of N-[1-(furan-2-yl)ethyl]-2-hydroxy-4-(thiophen-2-ylsulfonylamino)benzamide (CID 86980610) is N-[1-(furan-2-yl)ethyl]-2-hydroxy-4-(thiophen-2-ylsulfonylamino)benzamide.
What is the SMILES notation for N-[1-(furan-2-yl)ethyl]-2-hydroxy-4-(thiophen-2-ylsulfonylamino)benzamide?
The canonical SMILES for N-[1-(furan-2-yl)ethyl]-2-hydroxy-4-(thiophen-2-ylsulfonylamino)benzamide is CC(NC(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1O)c1ccco1.
What is the InChIKey of N-[1-(furan-2-yl)ethyl]-2-hydroxy-4-(thiophen-2-ylsulfonylamino)benzamide?
The InChIKey is GHJLVFURRAJUTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O5S2/c1-11(15-4-2-8-24-15)18-17(21)13-7-6-12(10-14(13)20)19-26(22,23)16-5-3-9-25-16/h2-11,19-20H,1H3,(H,18,21).
What are the key properties of N-[1-(furan-2-yl)ethyl]-2-hydroxy-4-(thiophen-2-ylsulfonylamino)benzamide?
N-[1-(furan-2-yl)ethyl]-2-hydroxy-4-(thiophen-2-ylsulfonylamino)benzamide has a molecular weight of 392.46 g/mol, XLogP of 3.34, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(furan-2-yl)ethyl]-2-hydroxy-4-(thiophen-2-ylsulfonylamino)benzamide is sourced from PubChem (CID 86980610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).