N-[2-(methanesulfonamido)-1,3-benzothiazol-6-yl]-2-phenylquinoline-4-carboxamide

C24H18N4O3S2 — CID 50765778

IUPACN-[2-(methanesulfonamido)-1,3-benzothiazol-6-yl]-2-phenylquinoline-4-carboxamide
SMILESCS(=O)(=O)Nc1nc2ccc(NC(=O)c3cc(-c4ccccc4)nc4ccccc34)cc2s1
InChIInChI=1S/C24H18N4O3S2/c1-33(30,31)28-24-27-20-12-11-16(13-22(20)32-24)25-23(29)18-14-21(15-7-3-2-4-8-15)26-19-10-6-5-9-17(18)19/h2-14H,1H3,(H,25,29)(H,27,28)
InChIKeyXNVSUVVRNXSGGM-UHFFFAOYSA-N
MW474.57 g/mol
LogP5.14
Rot. Bonds5

About N-[2-(methanesulfonamido)-1,3-benzothiazol-6-yl]-2-phenylquinoline-4-carboxamide

N-[2-(methanesulfonamido)-1,3-benzothiazol-6-yl]-2-phenylquinoline-4-carboxamide (PubChem CID 50765778) has the molecular formula C24H18N4O3S2 and a molecular weight of 474.57 g/mol. Its IUPAC name is N-[2-(methanesulfonamido)-1,3-benzothiazol-6-yl]-2-phenylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[2-(methanesulfonamido)-1,3-benzothiazol-6-yl]-2-phenylquinoline-4-carboxamide
PubChem CID50765778
Molecular FormulaC24H18N4O3S2
Molecular Weight474.57 g/mol
Exact Mass474.08
IUPAC NameN-[2-(methanesulfonamido)-1,3-benzothiazol-6-yl]-2-phenylquinoline-4-carboxamide
SMILESCS(=O)(=O)Nc1nc2ccc(NC(=O)c3cc(-c4ccccc4)nc4ccccc34)cc2s1
InChIInChI=1S/C24H18N4O3S2/c1-33(30,31)28-24-27-20-12-11-16(13-22(20)32-24)25-23(29)18-14-21(15-7-3-2-4-8-15)26-19-10-6-5-9-17(18)19/h2-14H,1H3,(H,25,29)(H,27,28)
InChIKeyXNVSUVVRNXSGGM-UHFFFAOYSA-N
XLogP5.14
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.57
LogP ≤ 55.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-(methanesulfonamido)-1,3,4-thiadiazol-2-yl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 55978013
2-bromo-N-[2-(methanesulfonamido)-1,3-benzothiazol-6-yl]benzamide
CID 46291167
N-(6-fluoro-1,3-benzothiazol-2-yl)-2-phenylquinoline-4-carboxamide
CID 3252476
N-(2-acetamido-1,3-benzothiazol-6-yl)-2-methylquinoline-4-carboxamide
CID 60557428
2-(4-chlorophenyl)-N-[3-(methanesulfonamido)phenyl]quinoline-4-carboxamide
CID 39204456
N-(2-acetamido-1,3-benzothiazol-5-yl)-2-(4-fluorophenyl)quinoline-4-carboxamide
CID 46328665
N-(6-chloro-1,3-benzothiazol-2-yl)-2-(4-chlorophenyl)quinoline-4-carboxamide
CID 4181016
N-(6-acetamido-1,3-benzothiazol-2-yl)-2-methylquinoline-4-carboxamide
CID 51336725
N-(4-methoxyphenyl)-2-phenylquinoline-4-carboxamide
CID 1035332
methane;N-[4-(methylsulfamoyl)phenyl]-2-phenylquinoline-4-carboxamide
CID 160607746
N-(2-methyl-1,3-benzothiazol-6-yl)-2-thiophen-2-ylquinoline-4-carboxamide
CID 2316246
N-(4-acetamidophenyl)-2-(4-methylphenyl)quinoline-4-carboxamide
CID 4863526

Frequently Asked Questions

What is the IUPAC name of N-[2-(methanesulfonamido)-1,3-benzothiazol-6-yl]-2-phenylquinoline-4-carboxamide?
The IUPAC name of N-[2-(methanesulfonamido)-1,3-benzothiazol-6-yl]-2-phenylquinoline-4-carboxamide (CID 50765778) is N-[2-(methanesulfonamido)-1,3-benzothiazol-6-yl]-2-phenylquinoline-4-carboxamide.
What is the SMILES notation for N-[2-(methanesulfonamido)-1,3-benzothiazol-6-yl]-2-phenylquinoline-4-carboxamide?
The canonical SMILES for N-[2-(methanesulfonamido)-1,3-benzothiazol-6-yl]-2-phenylquinoline-4-carboxamide is CS(=O)(=O)Nc1nc2ccc(NC(=O)c3cc(-c4ccccc4)nc4ccccc34)cc2s1.
What is the InChIKey of N-[2-(methanesulfonamido)-1,3-benzothiazol-6-yl]-2-phenylquinoline-4-carboxamide?
The InChIKey is XNVSUVVRNXSGGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N4O3S2/c1-33(30,31)28-24-27-20-12-11-16(13-22(20)32-24)25-23(29)18-14-21(15-7-3-2-4-8-15)26-19-10-6-5-9-17(18)19/h2-14H,1H3,(H,25,29)(H,27,28).
What are the key properties of N-[2-(methanesulfonamido)-1,3-benzothiazol-6-yl]-2-phenylquinoline-4-carboxamide?
N-[2-(methanesulfonamido)-1,3-benzothiazol-6-yl]-2-phenylquinoline-4-carboxamide has a molecular weight of 474.57 g/mol, XLogP of 5.14, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(methanesulfonamido)-1,3-benzothiazol-6-yl]-2-phenylquinoline-4-carboxamide is sourced from PubChem (CID 50765778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).