N-(5-thiophen-2-ylsulfonylquinolin-8-yl)benzamide

C20H14N2O3S2 — CID 132603204

IUPACN-(5-thiophen-2-ylsulfonylquinolin-8-yl)benzamide
SMILESO=C(Nc1ccc(S(=O)(=O)c2cccs2)c2cccnc12)c1ccccc1
InChIInChI=1S/C20H14N2O3S2/c23-20(14-6-2-1-3-7-14)22-16-10-11-17(15-8-4-12-21-19(15)16)27(24,25)18-9-5-13-26-18/h1-13H,(H,22,23)
InChIKeyDXGYZVHORPFCDM-UHFFFAOYSA-N
MW394.48 g/mol
LogP4.38
Rot. Bonds4

About N-(5-thiophen-2-ylsulfonylquinolin-8-yl)benzamide

N-(5-thiophen-2-ylsulfonylquinolin-8-yl)benzamide (PubChem CID 132603204) has the molecular formula C20H14N2O3S2 and a molecular weight of 394.48 g/mol. Its IUPAC name is N-(5-thiophen-2-ylsulfonylquinolin-8-yl)benzamide.

Molecular Properties

Compound NameN-(5-thiophen-2-ylsulfonylquinolin-8-yl)benzamide
PubChem CID132603204
Molecular FormulaC20H14N2O3S2
Molecular Weight394.48 g/mol
Exact Mass394.04
IUPAC NameN-(5-thiophen-2-ylsulfonylquinolin-8-yl)benzamide
SMILESO=C(Nc1ccc(S(=O)(=O)c2cccs2)c2cccnc12)c1ccccc1
InChIInChI=1S/C20H14N2O3S2/c23-20(14-6-2-1-3-7-14)22-16-10-11-17(15-8-4-12-21-19(15)16)27(24,25)18-9-5-13-26-18/h1-13H,(H,22,23)
InChIKeyDXGYZVHORPFCDM-UHFFFAOYSA-N
XLogP4.38
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-(benzenesulfonyl)quinolin-8-yl]propanamide
CID 139094633
N-(5-phenylselanylquinolin-8-yl)benzamide
CID 132548337
N-[4-(benzenesulfonyl)-2,1,3-benzoxadiazol-7-yl]benzamide
CID 10691115
(8-benzamidoquinolin-5-yl) propanoate
CID 132937572
N-(4-bromoquinolin-8-yl)benzamide
CID 163361667
N-[4-(pyridin-2-ylsulfamoyl)naphthalen-1-yl]benzamide
CID 59656557
ethyl 2-(8-benzamidoquinolin-5-yl)-2,2-difluoroacetate
CID 132600265
[8-[(3,4-dimethoxybenzoyl)amino]quinolin-5-yl] benzoate
CID 177415031
(8-benzamido-6-methoxyquinolin-5-yl) acetate
CID 132937577
N-[4-[methoxy(phenyl)sulfamoyl]naphthalen-1-yl]pyridine-4-carboxamide
CID 91106510
7-benzamido-2,1,3-benzoxadiazole-4-sulfonic acid
CID 10567625
N-(5-chloroquinolin-8-yl)-3-hydroxybenzamide
CID 115577672

Frequently Asked Questions

What is the IUPAC name of N-(5-thiophen-2-ylsulfonylquinolin-8-yl)benzamide?
The IUPAC name of N-(5-thiophen-2-ylsulfonylquinolin-8-yl)benzamide (CID 132603204) is N-(5-thiophen-2-ylsulfonylquinolin-8-yl)benzamide.
What is the SMILES notation for N-(5-thiophen-2-ylsulfonylquinolin-8-yl)benzamide?
The canonical SMILES for N-(5-thiophen-2-ylsulfonylquinolin-8-yl)benzamide is O=C(Nc1ccc(S(=O)(=O)c2cccs2)c2cccnc12)c1ccccc1.
What is the InChIKey of N-(5-thiophen-2-ylsulfonylquinolin-8-yl)benzamide?
The InChIKey is DXGYZVHORPFCDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N2O3S2/c23-20(14-6-2-1-3-7-14)22-16-10-11-17(15-8-4-12-21-19(15)16)27(24,25)18-9-5-13-26-18/h1-13H,(H,22,23).
What are the key properties of N-(5-thiophen-2-ylsulfonylquinolin-8-yl)benzamide?
N-(5-thiophen-2-ylsulfonylquinolin-8-yl)benzamide has a molecular weight of 394.48 g/mol, XLogP of 4.38, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-thiophen-2-ylsulfonylquinolin-8-yl)benzamide is sourced from PubChem (CID 132603204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).