2-hydroxy-N-pentan-3-yl-4-(thiophen-2-ylsulfonylamino)benzamide

C16H20N2O4S2 — CID 78867915

IUPAC2-hydroxy-N-pentan-3-yl-4-(thiophen-2-ylsulfonylamino)benzamide
SMILESCCC(CC)NC(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1O
InChIInChI=1S/C16H20N2O4S2/c1-3-11(4-2)17-16(20)13-8-7-12(10-14(13)19)18-24(21,22)15-6-5-9-23-15/h5-11,18-19H,3-4H2,1-2H3,(H,17,20)
InChIKeySHWBQEYBBWFNAT-UHFFFAOYSA-N
MW368.48 g/mol
LogP3.17
Rot. Bonds7

About 2-hydroxy-N-pentan-3-yl-4-(thiophen-2-ylsulfonylamino)benzamide

2-hydroxy-N-pentan-3-yl-4-(thiophen-2-ylsulfonylamino)benzamide (PubChem CID 78867915) has the molecular formula C16H20N2O4S2 and a molecular weight of 368.48 g/mol. Its IUPAC name is 2-hydroxy-N-pentan-3-yl-4-(thiophen-2-ylsulfonylamino)benzamide.

Molecular Properties

Compound Name2-hydroxy-N-pentan-3-yl-4-(thiophen-2-ylsulfonylamino)benzamide
PubChem CID78867915
Molecular FormulaC16H20N2O4S2
Molecular Weight368.48 g/mol
Exact Mass368.09
IUPAC Name2-hydroxy-N-pentan-3-yl-4-(thiophen-2-ylsulfonylamino)benzamide
SMILESCCC(CC)NC(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1O
InChIInChI=1S/C16H20N2O4S2/c1-3-11(4-2)17-16(20)13-8-7-12(10-14(13)19)18-24(21,22)15-6-5-9-23-15/h5-11,18-19H,3-4H2,1-2H3,(H,17,20)
InChIKeySHWBQEYBBWFNAT-UHFFFAOYSA-N
XLogP3.17
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 53.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(furan-2-yl)ethyl]-2-hydroxy-4-(thiophen-2-ylsulfonylamino)benzamide
CID 86980610
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
N-benzyl-2-hydroxy-N-methyl-4-(thiophen-2-ylsulfonylamino)benzamide
CID 78847492
2-methyl-4-(thiophen-2-ylsulfonylamino)benzoic acid
CID 56828335
N-[3-hydroxy-4-(3-methylpiperidine-1-carbonyl)phenyl]thiophene-2-sulfonamide
CID 78847493
2-hydroxy-N-methyl-N-[1-(4-methylphenyl)ethyl]-4-(thiophen-2-ylsulfonylamino)benzamide
CID 112821205
2-hydroxy-N-methyl-N-[(5-methylfuran-2-yl)methyl]-4-(thiophen-2-ylsulfonylamino)benzamide
CID 78867303
[2-oxo-2-(4-phenylphenyl)ethyl] 2-hydroxy-4-(thiophen-2-ylsulfonylamino)benzoate
CID 25042549
N-(1-aminohexan-2-yl)-3-(thiophen-2-ylsulfonylamino)benzamide;hydrochloride
CID 119667025

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-pentan-3-yl-4-(thiophen-2-ylsulfonylamino)benzamide?
The IUPAC name of 2-hydroxy-N-pentan-3-yl-4-(thiophen-2-ylsulfonylamino)benzamide (CID 78867915) is 2-hydroxy-N-pentan-3-yl-4-(thiophen-2-ylsulfonylamino)benzamide.
What is the SMILES notation for 2-hydroxy-N-pentan-3-yl-4-(thiophen-2-ylsulfonylamino)benzamide?
The canonical SMILES for 2-hydroxy-N-pentan-3-yl-4-(thiophen-2-ylsulfonylamino)benzamide is CCC(CC)NC(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1O.
What is the InChIKey of 2-hydroxy-N-pentan-3-yl-4-(thiophen-2-ylsulfonylamino)benzamide?
The InChIKey is SHWBQEYBBWFNAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O4S2/c1-3-11(4-2)17-16(20)13-8-7-12(10-14(13)19)18-24(21,22)15-6-5-9-23-15/h5-11,18-19H,3-4H2,1-2H3,(H,17,20).
What are the key properties of 2-hydroxy-N-pentan-3-yl-4-(thiophen-2-ylsulfonylamino)benzamide?
2-hydroxy-N-pentan-3-yl-4-(thiophen-2-ylsulfonylamino)benzamide has a molecular weight of 368.48 g/mol, XLogP of 3.17, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-pentan-3-yl-4-(thiophen-2-ylsulfonylamino)benzamide is sourced from PubChem (CID 78867915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).