N-[(2S)-5-(diethylamino)pentan-2-yl]-5-[(6-phenylpyridazin-3-yl)sulfanylmethyl]furan-2-carboxamide

C25H32N4O2S — CID 93101781

IUPACN-[(2S)-5-(diethylamino)pentan-2-yl]-5-[(6-phenylpyridazin-3-yl)sulfanylmethyl]furan-2-carboxamide
SMILESCCN(CC)CCC[C@H](C)NC(=O)c1ccc(CSc2ccc(-c3ccccc3)nn2)o1
InChIInChI=1S/C25H32N4O2S/c1-4-29(5-2)17-9-10-19(3)26-25(30)23-15-13-21(31-23)18-32-24-16-14-22(27-28-24)20-11-7-6-8-12-20/h6-8,11-16,19H,4-5,9-10,17-18H2,1-3H3,(H,26,30)/t19-/m0/s1
InChIKeyOMONDUCBTLXVLM-IBGZPJMESA-N
MW452.62 g/mol
LogP5.27
Rot. Bonds12

About N-[(2S)-5-(diethylamino)pentan-2-yl]-5-[(6-phenylpyridazin-3-yl)sulfanylmethyl]furan-2-carboxamide

N-[(2S)-5-(diethylamino)pentan-2-yl]-5-[(6-phenylpyridazin-3-yl)sulfanylmethyl]furan-2-carboxamide (PubChem CID 93101781) has the molecular formula C25H32N4O2S and a molecular weight of 452.62 g/mol. Its IUPAC name is N-[(2S)-5-(diethylamino)pentan-2-yl]-5-[(6-phenylpyridazin-3-yl)sulfanylmethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(2S)-5-(diethylamino)pentan-2-yl]-5-[(6-phenylpyridazin-3-yl)sulfanylmethyl]furan-2-carboxamide
PubChem CID93101781
Molecular FormulaC25H32N4O2S
Molecular Weight452.62 g/mol
Exact Mass452.22
IUPAC NameN-[(2S)-5-(diethylamino)pentan-2-yl]-5-[(6-phenylpyridazin-3-yl)sulfanylmethyl]furan-2-carboxamide
SMILESCCN(CC)CCC[C@H](C)NC(=O)c1ccc(CSc2ccc(-c3ccccc3)nn2)o1
InChIInChI=1S/C25H32N4O2S/c1-4-29(5-2)17-9-10-19(3)26-25(30)23-15-13-21(31-23)18-32-24-16-14-22(27-28-24)20-11-7-6-8-12-20/h6-8,11-16,19H,4-5,9-10,17-18H2,1-3H3,(H,26,30)/t19-/m0/s1
InChIKeyOMONDUCBTLXVLM-IBGZPJMESA-N
XLogP5.27
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.62
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(2S)-5-(diethylamino)pentan-2-yl]-5-[(6-phenylpyridazin-3-yl)sulfanylmethyl]furan-2-carboxamide with MolForge

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Related Compounds

N-[5-(diethylamino)pentan-2-yl]-4-[[6-(4-methylphenyl)pyridazin-3-yl]sulfanylmethyl]benzamide
CID 6411699
N-pentyl-5-[[6-(4-phenylphenyl)pyridazin-3-yl]sulfanylmethyl]furan-2-carboxamide
CID 42763760
morpholin-4-yl-[5-[[6-(4-phenylphenyl)pyridazin-3-yl]sulfanylmethyl]furan-2-yl]methanone
CID 6402590
N-(4-fluorophenyl)-5-[[6-(4-methylphenyl)pyridazin-3-yl]sulfanylmethyl]furan-2-carboxamide
CID 6402607
N-(3-methylbutan-2-yl)-5-(phenylsulfanylmethyl)furan-2-carboxamide
CID 43056886
6-[(5-ethylfuran-2-carbonyl)amino]-2-methylheptanoic acid
CID 65285809
5-[[[N-[5-(diethylamino)pentan-2-yl]-N'-methylcarbamimidoyl]amino]methyl]furan-2-carboxamide
CID 111908063
N-[(2S)-butan-2-yl]-5-[(dibenzylamino)methyl]furan-2-carboxamide
CID 7482215
N-(1-phenylethyl)-2-(6-phenylpyridazin-3-yl)sulfanylacetamide
CID 42663314
(2R)-2-[[5-(methylsulfanylmethyl)furan-2-carbonyl]amino]-2-phenylacetic acid
CID 61145316
3-amino-N-[5-(diethylamino)pentan-2-yl]-3-phenylpropanamide
CID 119952645
N-[(1R)-2-hydroxy-1-phenylethyl]-5-(methylsulfanylmethyl)furan-2-carboxamide
CID 103944448

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-5-(diethylamino)pentan-2-yl]-5-[(6-phenylpyridazin-3-yl)sulfanylmethyl]furan-2-carboxamide?
The IUPAC name of N-[(2S)-5-(diethylamino)pentan-2-yl]-5-[(6-phenylpyridazin-3-yl)sulfanylmethyl]furan-2-carboxamide (CID 93101781) is N-[(2S)-5-(diethylamino)pentan-2-yl]-5-[(6-phenylpyridazin-3-yl)sulfanylmethyl]furan-2-carboxamide.
What is the SMILES notation for N-[(2S)-5-(diethylamino)pentan-2-yl]-5-[(6-phenylpyridazin-3-yl)sulfanylmethyl]furan-2-carboxamide?
The canonical SMILES for N-[(2S)-5-(diethylamino)pentan-2-yl]-5-[(6-phenylpyridazin-3-yl)sulfanylmethyl]furan-2-carboxamide is CCN(CC)CCC[C@H](C)NC(=O)c1ccc(CSc2ccc(-c3ccccc3)nn2)o1.
What is the InChIKey of N-[(2S)-5-(diethylamino)pentan-2-yl]-5-[(6-phenylpyridazin-3-yl)sulfanylmethyl]furan-2-carboxamide?
The InChIKey is OMONDUCBTLXVLM-IBGZPJMESA-N. The full InChI is InChI=1S/C25H32N4O2S/c1-4-29(5-2)17-9-10-19(3)26-25(30)23-15-13-21(31-23)18-32-24-16-14-22(27-28-24)20-11-7-6-8-12-20/h6-8,11-16,19H,4-5,9-10,17-18H2,1-3H3,(H,26,30)/t19-/m0/s1.
What are the key properties of N-[(2S)-5-(diethylamino)pentan-2-yl]-5-[(6-phenylpyridazin-3-yl)sulfanylmethyl]furan-2-carboxamide?
N-[(2S)-5-(diethylamino)pentan-2-yl]-5-[(6-phenylpyridazin-3-yl)sulfanylmethyl]furan-2-carboxamide has a molecular weight of 452.62 g/mol, XLogP of 5.27, 12 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-5-(diethylamino)pentan-2-yl]-5-[(6-phenylpyridazin-3-yl)sulfanylmethyl]furan-2-carboxamide is sourced from PubChem (CID 93101781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).