N-[5-(diethylamino)pentan-2-yl]-4-[[6-(4-methylphenyl)pyridazin-3-yl]sulfanylmethyl]benzamide

C28H36N4OS — CID 6411699

IUPACN-[5-(diethylamino)pentan-2-yl]-4-[[6-(4-methylphenyl)pyridazin-3-yl]sulfanylmethyl]benzamide
SMILESCCN(CC)CCCC(C)NC(=O)c1ccc(CSc2ccc(-c3ccc(C)cc3)nn2)cc1
InChIInChI=1S/C28H36N4OS/c1-5-32(6-2)19-7-8-22(4)29-28(33)25-15-11-23(12-16-25)20-34-27-18-17-26(30-31-27)24-13-9-21(3)10-14-24/h9-18,22H,5-8,19-20H2,1-4H3,(H,29,33)
InChIKeyVJYZWRZXTXFHRR-UHFFFAOYSA-N
MW476.69 g/mol
LogP5.98
Rot. Bonds12

About N-[5-(diethylamino)pentan-2-yl]-4-[[6-(4-methylphenyl)pyridazin-3-yl]sulfanylmethyl]benzamide

N-[5-(diethylamino)pentan-2-yl]-4-[[6-(4-methylphenyl)pyridazin-3-yl]sulfanylmethyl]benzamide (PubChem CID 6411699) has the molecular formula C28H36N4OS and a molecular weight of 476.69 g/mol. Its IUPAC name is N-[5-(diethylamino)pentan-2-yl]-4-[[6-(4-methylphenyl)pyridazin-3-yl]sulfanylmethyl]benzamide.

Molecular Properties

Compound NameN-[5-(diethylamino)pentan-2-yl]-4-[[6-(4-methylphenyl)pyridazin-3-yl]sulfanylmethyl]benzamide
PubChem CID6411699
Molecular FormulaC28H36N4OS
Molecular Weight476.69 g/mol
Exact Mass476.26
IUPAC NameN-[5-(diethylamino)pentan-2-yl]-4-[[6-(4-methylphenyl)pyridazin-3-yl]sulfanylmethyl]benzamide
SMILESCCN(CC)CCCC(C)NC(=O)c1ccc(CSc2ccc(-c3ccc(C)cc3)nn2)cc1
InChIInChI=1S/C28H36N4OS/c1-5-32(6-2)19-7-8-22(4)29-28(33)25-15-11-23(12-16-25)20-34-27-18-17-26(30-31-27)24-13-9-21(3)10-14-24/h9-18,22H,5-8,19-20H2,1-4H3,(H,29,33)
InChIKeyVJYZWRZXTXFHRR-UHFFFAOYSA-N
XLogP5.98
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.69
LogP ≤ 55.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[5-(diethylamino)pentan-2-yl]-4-[[6-(4-methylphenyl)pyridazin-3-yl]sulfanylmethyl]benzamide with MolForge

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Related Compounds

N-[(2S)-5-(diethylamino)pentan-2-yl]-5-[(6-phenylpyridazin-3-yl)sulfanylmethyl]furan-2-carboxamide
CID 93101781
N-[(2S)-3-methylbutan-2-yl]-3-[[6-(4-methylphenyl)pyridazin-3-yl]sulfanylmethyl]benzamide
CID 6402544
4-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-N-[(2R)-5-(diethylamino)pentan-2-yl]benzamide
CID 92767970
N-[5-(diethylamino)pentan-2-yl]-4-(trifluoromethyl)benzamide
CID 4535202
6-amino-N-[5-(diethylamino)pentan-2-yl]pyridine-3-carboxamide
CID 62153221
4-[[6-(4-methylphenyl)pyridazin-3-yl]sulfanylmethyl]-N-(2-morpholin-4-ylethyl)benzamide
CID 6402552
4-cyano-N-[5-(diethylamino)pentan-2-yl]benzamide
CID 24708648
4-(1H-benzimidazol-2-ylmethyl)-N-[5-(diethylamino)pentan-2-yl]benzamide
CID 16759221
6-chloro-N-[(2R)-5-(diethylamino)pentan-2-yl]pyridine-3-carboxamide
CID 38988276
4-[[[N-[5-(diethylamino)pentan-2-yl]-N'-methylcarbamimidoyl]amino]methyl]-N-methylbenzamide;hydroiodide
CID 110997582
1-[5-(diethylamino)pentan-2-yl]-2-methyl-3-[(4-methylphenyl)methyl]guanidine;hydroiodide
CID 110998960
4-[[[[5-(diethylamino)pentan-2-ylamino]-(ethylamino)methylidene]amino]methyl]-N-ethylbenzamide
CID 110997589

Frequently Asked Questions

What is the IUPAC name of N-[5-(diethylamino)pentan-2-yl]-4-[[6-(4-methylphenyl)pyridazin-3-yl]sulfanylmethyl]benzamide?
The IUPAC name of N-[5-(diethylamino)pentan-2-yl]-4-[[6-(4-methylphenyl)pyridazin-3-yl]sulfanylmethyl]benzamide (CID 6411699) is N-[5-(diethylamino)pentan-2-yl]-4-[[6-(4-methylphenyl)pyridazin-3-yl]sulfanylmethyl]benzamide.
What is the SMILES notation for N-[5-(diethylamino)pentan-2-yl]-4-[[6-(4-methylphenyl)pyridazin-3-yl]sulfanylmethyl]benzamide?
The canonical SMILES for N-[5-(diethylamino)pentan-2-yl]-4-[[6-(4-methylphenyl)pyridazin-3-yl]sulfanylmethyl]benzamide is CCN(CC)CCCC(C)NC(=O)c1ccc(CSc2ccc(-c3ccc(C)cc3)nn2)cc1.
What is the InChIKey of N-[5-(diethylamino)pentan-2-yl]-4-[[6-(4-methylphenyl)pyridazin-3-yl]sulfanylmethyl]benzamide?
The InChIKey is VJYZWRZXTXFHRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36N4OS/c1-5-32(6-2)19-7-8-22(4)29-28(33)25-15-11-23(12-16-25)20-34-27-18-17-26(30-31-27)24-13-9-21(3)10-14-24/h9-18,22H,5-8,19-20H2,1-4H3,(H,29,33).
What are the key properties of N-[5-(diethylamino)pentan-2-yl]-4-[[6-(4-methylphenyl)pyridazin-3-yl]sulfanylmethyl]benzamide?
N-[5-(diethylamino)pentan-2-yl]-4-[[6-(4-methylphenyl)pyridazin-3-yl]sulfanylmethyl]benzamide has a molecular weight of 476.69 g/mol, XLogP of 5.98, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(diethylamino)pentan-2-yl]-4-[[6-(4-methylphenyl)pyridazin-3-yl]sulfanylmethyl]benzamide is sourced from PubChem (CID 6411699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).