N-[2-[4-[4-[4-(hydrazinecarbonyl)-1,6-naphthyridin-2-yl]phenyl]phenoxy]ethyl]methanesulfonamide

C24H23N5O4S — CID 77105490

IUPACN-[2-[4-[4-[4-(hydrazinecarbonyl)-1,6-naphthyridin-2-yl]phenyl]phenoxy]ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCOc1ccc(-c2ccc(-c3cc(C(=O)NN)c4cnccc4n3)cc2)cc1
InChIInChI=1S/C24H23N5O4S/c1-34(31,32)27-12-13-33-19-8-6-17(7-9-19)16-2-4-18(5-3-16)23-14-20(24(30)29-25)21-15-26-11-10-22(21)28-23/h2-11,14-15,27H,12-13,25H2,1H3,(H,29,30)
InChIKeyWBJOARQFXNOBQX-UHFFFAOYSA-N
MW477.55 g/mol
LogP2.50
Rot. Bonds8

About N-[2-[4-[4-[4-(hydrazinecarbonyl)-1,6-naphthyridin-2-yl]phenyl]phenoxy]ethyl]methanesulfonamide

N-[2-[4-[4-[4-(hydrazinecarbonyl)-1,6-naphthyridin-2-yl]phenyl]phenoxy]ethyl]methanesulfonamide (PubChem CID 77105490) has the molecular formula C24H23N5O4S and a molecular weight of 477.55 g/mol. Its IUPAC name is N-[2-[4-[4-[4-(hydrazinecarbonyl)-1,6-naphthyridin-2-yl]phenyl]phenoxy]ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[4-[4-[4-(hydrazinecarbonyl)-1,6-naphthyridin-2-yl]phenyl]phenoxy]ethyl]methanesulfonamide
PubChem CID77105490
Molecular FormulaC24H23N5O4S
Molecular Weight477.55 g/mol
Exact Mass477.15
IUPAC NameN-[2-[4-[4-[4-(hydrazinecarbonyl)-1,6-naphthyridin-2-yl]phenyl]phenoxy]ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCOc1ccc(-c2ccc(-c3cc(C(=O)NN)c4cnccc4n3)cc2)cc1
InChIInChI=1S/C24H23N5O4S/c1-34(31,32)27-12-13-33-19-8-6-17(7-9-19)16-2-4-18(5-3-16)23-14-20(24(30)29-25)21-15-26-11-10-22(21)28-23/h2-11,14-15,27H,12-13,25H2,1H3,(H,29,30)
InChIKeyWBJOARQFXNOBQX-UHFFFAOYSA-N
XLogP2.50
TPSA136.30 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.55
LogP ≤ 52.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[2-[4-[4-[4-(hydrazinecarbonyl)-1,6-naphthyridin-2-yl]phenyl]phenoxy]ethyl]methanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-[4-[4-[4-(hydrazinecarbonyl)-1,6-naphthyridin-2-yl]phenyl]phenoxy]propyl]methanesulfonamide
CID 77105680
N-[2-[4-[4-[4-(hydrazinecarbonyl)-1,6-naphthyridin-2-yl]phenyl]phenoxy]ethyl]-2-methylpropanamide
CID 77105303
acetaldehyde;2-[4-[4-[3-(methylamino)propoxy]phenyl]phenyl]-1,6-naphthyridine-4-carbohydrazide
CID 144674882
N-[2-[2-(4-bromophenyl)-1,6-naphthyridin-4-yl]-2-oxoethyl]methanesulfonamide
CID 161000215
methyl 2-[4-[4-(5-methyl-4-oxohexoxy)phenyl]phenyl]-1,6-naphthyridine-4-carboxylate
CID 159798118
2-[4-[4-(morpholin-4-ylsulfonylmethyl)phenyl]phenyl]-1,6-naphthyridine-4-carbohydrazide
CID 77106094
N-[2-(4-methylphenoxy)ethyl]-2-pyridin-3-ylquinoline-4-carboxamide
CID 24681313
(2R)-1-[[4-[4-[4-(hydrazinecarbonyl)-1,6-naphthyridin-2-yl]phenyl]phenyl]methylsulfonyl]pyrrolidine-2-carboxylic acid
CID 90316052
2-[2-[4-[4-(hydrazinecarbonyl)-1,6-naphthyridin-2-yl]phenyl]ethynyl]cyclopropane-1-carboxylic acid
CID 129167578
2-[4-[2-[4-[4-(hydrazinecarbonyl)-1,6-naphthyridin-2-yl]phenyl]ethynyl]anilino]-3-hydroxybutanoic acid
CID 90304545
2-(3-butoxyphenyl)quinoline-4-carbohydrazide
CID 3492380
3-[[4-[2-[4-[4-(hydrazinecarbonyl)-1,6-naphthyridin-2-yl]phenyl]ethynyl]benzoyl]-methylamino]butanoic acid
CID 90304244

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[4-[4-(hydrazinecarbonyl)-1,6-naphthyridin-2-yl]phenyl]phenoxy]ethyl]methanesulfonamide?
The IUPAC name of N-[2-[4-[4-[4-(hydrazinecarbonyl)-1,6-naphthyridin-2-yl]phenyl]phenoxy]ethyl]methanesulfonamide (CID 77105490) is N-[2-[4-[4-[4-(hydrazinecarbonyl)-1,6-naphthyridin-2-yl]phenyl]phenoxy]ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-[4-[4-[4-(hydrazinecarbonyl)-1,6-naphthyridin-2-yl]phenyl]phenoxy]ethyl]methanesulfonamide?
The canonical SMILES for N-[2-[4-[4-[4-(hydrazinecarbonyl)-1,6-naphthyridin-2-yl]phenyl]phenoxy]ethyl]methanesulfonamide is CS(=O)(=O)NCCOc1ccc(-c2ccc(-c3cc(C(=O)NN)c4cnccc4n3)cc2)cc1.
What is the InChIKey of N-[2-[4-[4-[4-(hydrazinecarbonyl)-1,6-naphthyridin-2-yl]phenyl]phenoxy]ethyl]methanesulfonamide?
The InChIKey is WBJOARQFXNOBQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O4S/c1-34(31,32)27-12-13-33-19-8-6-17(7-9-19)16-2-4-18(5-3-16)23-14-20(24(30)29-25)21-15-26-11-10-22(21)28-23/h2-11,14-15,27H,12-13,25H2,1H3,(H,29,30).
What are the key properties of N-[2-[4-[4-[4-(hydrazinecarbonyl)-1,6-naphthyridin-2-yl]phenyl]phenoxy]ethyl]methanesulfonamide?
N-[2-[4-[4-[4-(hydrazinecarbonyl)-1,6-naphthyridin-2-yl]phenyl]phenoxy]ethyl]methanesulfonamide has a molecular weight of 477.55 g/mol, XLogP of 2.50, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[4-[4-(hydrazinecarbonyl)-1,6-naphthyridin-2-yl]phenyl]phenoxy]ethyl]methanesulfonamide is sourced from PubChem (CID 77105490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).