2-hydroxy-N-(1-methyl-2-oxoquinolin-7-yl)-4-(thiophen-2-ylsulfonylamino)benzamide

C21H17N3O5S2 — CID 167928414

IUPAC2-hydroxy-N-(1-methyl-2-oxoquinolin-7-yl)-4-(thiophen-2-ylsulfonylamino)benzamide
SMILESCn1c(=O)ccc2ccc(NC(=O)c3ccc(NS(=O)(=O)c4cccs4)cc3O)cc21
InChIInChI=1S/C21H17N3O5S2/c1-24-17-11-14(6-4-13(17)5-9-19(24)26)22-21(27)16-8-7-15(12-18(16)25)23-31(28,29)20-3-2-10-30-20/h2-12,23,25H,1H3,(H,22,27)
InChIKeyQUVYWVHAMKYKLH-UHFFFAOYSA-N
MW455.52 g/mol
LogP3.36
Rot. Bonds5

About 2-hydroxy-N-(1-methyl-2-oxoquinolin-7-yl)-4-(thiophen-2-ylsulfonylamino)benzamide

2-hydroxy-N-(1-methyl-2-oxoquinolin-7-yl)-4-(thiophen-2-ylsulfonylamino)benzamide (PubChem CID 167928414) has the molecular formula C21H17N3O5S2 and a molecular weight of 455.52 g/mol. Its IUPAC name is 2-hydroxy-N-(1-methyl-2-oxoquinolin-7-yl)-4-(thiophen-2-ylsulfonylamino)benzamide.

Molecular Properties

Compound Name2-hydroxy-N-(1-methyl-2-oxoquinolin-7-yl)-4-(thiophen-2-ylsulfonylamino)benzamide
PubChem CID167928414
Molecular FormulaC21H17N3O5S2
Molecular Weight455.52 g/mol
Exact Mass455.06
IUPAC Name2-hydroxy-N-(1-methyl-2-oxoquinolin-7-yl)-4-(thiophen-2-ylsulfonylamino)benzamide
SMILESCn1c(=O)ccc2ccc(NC(=O)c3ccc(NS(=O)(=O)c4cccs4)cc3O)cc21
InChIInChI=1S/C21H17N3O5S2/c1-24-17-11-14(6-4-13(17)5-9-19(24)26)22-21(27)16-8-7-15(12-18(16)25)23-31(28,29)20-3-2-10-30-20/h2-12,23,25H,1H3,(H,22,27)
InChIKeyQUVYWVHAMKYKLH-UHFFFAOYSA-N
XLogP3.36
TPSA117.50 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.52
LogP ≤ 53.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

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
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-(3-hydroxy-4-methylphenyl)thiophene-2-sulfonamide
CID 3790087
2-hydroxy-N-(2-methylcyclohexyl)-4-(thiophen-2-ylsulfonylamino)benzamide
CID 78867639
2-methyl-4-(thiophen-2-ylsulfonylamino)benzoic acid
CID 56828335
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-(1-methylindol-5-yl)thiophene-2-sulfonamide
CID 110867814
N-(3-acetyl-1,2-dihydroxyindol-6-yl)thiophene-2-sulfonamide
CID 10959108
N-[4-[2-(4-fluorophenyl)pyrrolidine-1-carbonyl]-3-hydroxyphenyl]thiophene-2-sulfonamide
CID 78869056

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-(1-methyl-2-oxoquinolin-7-yl)-4-(thiophen-2-ylsulfonylamino)benzamide?
The IUPAC name of 2-hydroxy-N-(1-methyl-2-oxoquinolin-7-yl)-4-(thiophen-2-ylsulfonylamino)benzamide (CID 167928414) is 2-hydroxy-N-(1-methyl-2-oxoquinolin-7-yl)-4-(thiophen-2-ylsulfonylamino)benzamide.
What is the SMILES notation for 2-hydroxy-N-(1-methyl-2-oxoquinolin-7-yl)-4-(thiophen-2-ylsulfonylamino)benzamide?
The canonical SMILES for 2-hydroxy-N-(1-methyl-2-oxoquinolin-7-yl)-4-(thiophen-2-ylsulfonylamino)benzamide is Cn1c(=O)ccc2ccc(NC(=O)c3ccc(NS(=O)(=O)c4cccs4)cc3O)cc21.
What is the InChIKey of 2-hydroxy-N-(1-methyl-2-oxoquinolin-7-yl)-4-(thiophen-2-ylsulfonylamino)benzamide?
The InChIKey is QUVYWVHAMKYKLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O5S2/c1-24-17-11-14(6-4-13(17)5-9-19(24)26)22-21(27)16-8-7-15(12-18(16)25)23-31(28,29)20-3-2-10-30-20/h2-12,23,25H,1H3,(H,22,27).
What are the key properties of 2-hydroxy-N-(1-methyl-2-oxoquinolin-7-yl)-4-(thiophen-2-ylsulfonylamino)benzamide?
2-hydroxy-N-(1-methyl-2-oxoquinolin-7-yl)-4-(thiophen-2-ylsulfonylamino)benzamide has a molecular weight of 455.52 g/mol, XLogP of 3.36, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-(1-methyl-2-oxoquinolin-7-yl)-4-(thiophen-2-ylsulfonylamino)benzamide is sourced from PubChem (CID 167928414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).