N-(3-methylbutyl)-3-[(6-phenylpyridazin-3-yl)sulfanylmethyl]benzamide

C23H25N3OS — CID 6413649

IUPACN-(3-methylbutyl)-3-[(6-phenylpyridazin-3-yl)sulfanylmethyl]benzamide
SMILESCC(C)CCNC(=O)c1cccc(CSc2ccc(-c3ccccc3)nn2)c1
InChIInChI=1S/C23H25N3OS/c1-17(2)13-14-24-23(27)20-10-6-7-18(15-20)16-28-22-12-11-21(25-26-22)19-8-4-3-5-9-19/h3-12,15,17H,13-14,16H2,1-2H3,(H,24,27)
InChIKeyANPZIPDQHXLSFH-UHFFFAOYSA-N
MW391.54 g/mol
LogP5.21
Rot. Bonds8

About N-(3-methylbutyl)-3-[(6-phenylpyridazin-3-yl)sulfanylmethyl]benzamide

N-(3-methylbutyl)-3-[(6-phenylpyridazin-3-yl)sulfanylmethyl]benzamide (PubChem CID 6413649) has the molecular formula C23H25N3OS and a molecular weight of 391.54 g/mol. Its IUPAC name is N-(3-methylbutyl)-3-[(6-phenylpyridazin-3-yl)sulfanylmethyl]benzamide.

Molecular Properties

Compound NameN-(3-methylbutyl)-3-[(6-phenylpyridazin-3-yl)sulfanylmethyl]benzamide
PubChem CID6413649
Molecular FormulaC23H25N3OS
Molecular Weight391.54 g/mol
Exact Mass391.17
IUPAC NameN-(3-methylbutyl)-3-[(6-phenylpyridazin-3-yl)sulfanylmethyl]benzamide
SMILESCC(C)CCNC(=O)c1cccc(CSc2ccc(-c3ccccc3)nn2)c1
InChIInChI=1S/C23H25N3OS/c1-17(2)13-14-24-23(27)20-10-6-7-18(15-20)16-28-22-12-11-21(25-26-22)19-8-4-3-5-9-19/h3-12,15,17H,13-14,16H2,1-2H3,(H,24,27)
InChIKeyANPZIPDQHXLSFH-UHFFFAOYSA-N
XLogP5.21
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.54
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(3-methylbutyl)-3-[(6-phenylpyridazin-3-yl)sulfanylmethyl]benzamide 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

3-[(6-phenylpyridazin-3-yl)sulfanylmethyl]benzoic acid
CID 42763696
N-[(2S)-3-methylbutan-2-yl]-3-[[6-(4-methylphenyl)pyridazin-3-yl]sulfanylmethyl]benzamide
CID 6402544
N-(4-fluorophenyl)-3-[[6-(4-methoxyphenyl)pyridazin-3-yl]sulfanylmethyl]benzamide
CID 42763751
3-(6-methoxypyridazin-3-yl)-N-(2-phenylethyl)benzamide
CID 134803345
3-[6-(3-methoxyphenoxy)pyridazin-3-yl]-N-(3-methylbutyl)benzamide
CID 46387077
N-benzyl-2-(6-phenylpyridazin-3-yl)sulfanylacetamide
CID 7502583
N-(2-methylpropyl)-2-[6-(4-phenylphenyl)pyridazin-3-yl]sulfanylacetamide
CID 42763706
N-pentyl-5-[[6-(4-phenylphenyl)pyridazin-3-yl]sulfanylmethyl]furan-2-carboxamide
CID 42763760
3-[6-(benzylamino)pyridazin-3-yl]-N-(2-methoxyethyl)benzamide
CID 50815961
1-N-(3-methylbutyl)-3-N-[(3-methylphenyl)methyl]benzene-1,3-dicarboxamide
CID 109054298
N-(3-hydroxypentyl)-3-(methylsulfanylmethyl)benzamide
CID 115703473
N-(4-ethylphenyl)-2-(6-phenylpyridazin-3-yl)sulfanylacetamide
CID 8541081

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-3-[(6-phenylpyridazin-3-yl)sulfanylmethyl]benzamide?
The IUPAC name of N-(3-methylbutyl)-3-[(6-phenylpyridazin-3-yl)sulfanylmethyl]benzamide (CID 6413649) is N-(3-methylbutyl)-3-[(6-phenylpyridazin-3-yl)sulfanylmethyl]benzamide.
What is the SMILES notation for N-(3-methylbutyl)-3-[(6-phenylpyridazin-3-yl)sulfanylmethyl]benzamide?
The canonical SMILES for N-(3-methylbutyl)-3-[(6-phenylpyridazin-3-yl)sulfanylmethyl]benzamide is CC(C)CCNC(=O)c1cccc(CSc2ccc(-c3ccccc3)nn2)c1.
What is the InChIKey of N-(3-methylbutyl)-3-[(6-phenylpyridazin-3-yl)sulfanylmethyl]benzamide?
The InChIKey is ANPZIPDQHXLSFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3OS/c1-17(2)13-14-24-23(27)20-10-6-7-18(15-20)16-28-22-12-11-21(25-26-22)19-8-4-3-5-9-19/h3-12,15,17H,13-14,16H2,1-2H3,(H,24,27).
What are the key properties of N-(3-methylbutyl)-3-[(6-phenylpyridazin-3-yl)sulfanylmethyl]benzamide?
N-(3-methylbutyl)-3-[(6-phenylpyridazin-3-yl)sulfanylmethyl]benzamide has a molecular weight of 391.54 g/mol, XLogP of 5.21, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)-3-[(6-phenylpyridazin-3-yl)sulfanylmethyl]benzamide is sourced from PubChem (CID 6413649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).