4-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]-N-[(E)-(8-hydroxyquinolin-2-yl)methylideneamino]benzamide

C29H25N5O4S — CID 177435164

IUPAC4-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]-N-[(E)-(8-hydroxyquinolin-2-yl)methylideneamino]benzamide
SMILESCN(C)c1cccc2c(S(=O)(=O)Nc3ccc(C(=O)N/N=C/c4ccc5cccc(O)c5n4)cc3)cccc12
InChIInChI=1S/C29H25N5O4S/c1-34(2)25-9-4-8-24-23(25)7-5-11-27(24)39(37,38)33-21-15-13-20(14-16-21)29(36)32-30-18-22-17-12-19-6-3-10-26(35)28(19)31-22/h3-18,33,35H,1-2H3,(H,32,36)/b30-18+
InChIKeyFNJGOZJGFQCXQE-UXHLAJHPSA-N
MW539.62 g/mol
LogP4.72
Rot. Bonds7

About 4-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]-N-[(E)-(8-hydroxyquinolin-2-yl)methylideneamino]benzamide

4-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]-N-[(E)-(8-hydroxyquinolin-2-yl)methylideneamino]benzamide (PubChem CID 177435164) has the molecular formula C29H25N5O4S and a molecular weight of 539.62 g/mol. Its IUPAC name is 4-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]-N-[(E)-(8-hydroxyquinolin-2-yl)methylideneamino]benzamide.

Molecular Properties

Compound Name4-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]-N-[(E)-(8-hydroxyquinolin-2-yl)methylideneamino]benzamide
PubChem CID177435164
Molecular FormulaC29H25N5O4S
Molecular Weight539.62 g/mol
Exact Mass539.16
IUPAC Name4-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]-N-[(E)-(8-hydroxyquinolin-2-yl)methylideneamino]benzamide
SMILESCN(C)c1cccc2c(S(=O)(=O)Nc3ccc(C(=O)N/N=C/c4ccc5cccc(O)c5n4)cc3)cccc12
InChIInChI=1S/C29H25N5O4S/c1-34(2)25-9-4-8-24-23(25)7-5-11-27(24)39(37,38)33-21-15-13-20(14-16-21)29(36)32-30-18-22-17-12-19-6-3-10-26(35)28(19)31-22/h3-18,33,35H,1-2H3,(H,32,36)/b30-18+
InChIKeyFNJGOZJGFQCXQE-UXHLAJHPSA-N
XLogP4.72
TPSA123.99 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500539.62
LogP ≤ 54.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]benzoic acid
CID 15839021
N-[2-(diethylamino)ethyl]-4-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]benzamide
CID 54255975
3-bromo-N-[(Z)-(8-hydroxyquinolin-2-yl)methylideneamino]benzamide
CID 136777396
3-chloro-N-[(E)-(8-hydroxyquinolin-2-yl)methylideneamino]benzamide
CID 135544812
[4-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]phenyl]boronic acid
CID 15345457
5-(dimethylamino)-N-(2-hydroxyphenyl)naphthalene-1-sulfonamide
CID 25048383
N-(6-chloro-3-pyridinyl)-5-(dimethylamino)naphthalene-1-sulfonamide
CID 11792960
4-(dimethylamino)-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide
CID 135465938
4-(dimethylamino)-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide
CID 136737019
N-[4-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]phenyl]-1-methylcyclopropane-1-carboxamide
CID 59900326
N-[4-(1-aminoethyl)phenyl]-5-(dimethylamino)naphthalene-1-sulfonamide
CID 102078919
4-acetamido-N-[(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide
CID 966653

Frequently Asked Questions

What is the IUPAC name of 4-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]-N-[(E)-(8-hydroxyquinolin-2-yl)methylideneamino]benzamide?
The IUPAC name of 4-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]-N-[(E)-(8-hydroxyquinolin-2-yl)methylideneamino]benzamide (CID 177435164) is 4-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]-N-[(E)-(8-hydroxyquinolin-2-yl)methylideneamino]benzamide.
What is the SMILES notation for 4-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]-N-[(E)-(8-hydroxyquinolin-2-yl)methylideneamino]benzamide?
The canonical SMILES for 4-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]-N-[(E)-(8-hydroxyquinolin-2-yl)methylideneamino]benzamide is CN(C)c1cccc2c(S(=O)(=O)Nc3ccc(C(=O)N/N=C/c4ccc5cccc(O)c5n4)cc3)cccc12.
What is the InChIKey of 4-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]-N-[(E)-(8-hydroxyquinolin-2-yl)methylideneamino]benzamide?
The InChIKey is FNJGOZJGFQCXQE-UXHLAJHPSA-N. The full InChI is InChI=1S/C29H25N5O4S/c1-34(2)25-9-4-8-24-23(25)7-5-11-27(24)39(37,38)33-21-15-13-20(14-16-21)29(36)32-30-18-22-17-12-19-6-3-10-26(35)28(19)31-22/h3-18,33,35H,1-2H3,(H,32,36)/b30-18+.
What are the key properties of 4-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]-N-[(E)-(8-hydroxyquinolin-2-yl)methylideneamino]benzamide?
4-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]-N-[(E)-(8-hydroxyquinolin-2-yl)methylideneamino]benzamide has a molecular weight of 539.62 g/mol, XLogP of 4.72, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]-N-[(E)-(8-hydroxyquinolin-2-yl)methylideneamino]benzamide is sourced from PubChem (CID 177435164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).