N'-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxobutanoyl]-4-hexoxybenzohydrazide

C24H31N3O4S — CID 55877866

IUPACN'-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxobutanoyl]-4-hexoxybenzohydrazide
SMILESCCCCCCOc1ccc(C(=O)NNC(=O)CCC(=O)N2CCc3sccc3C2)cc1
InChIInChI=1S/C24H31N3O4S/c1-2-3-4-5-15-31-20-8-6-18(7-9-20)24(30)26-25-22(28)10-11-23(29)27-14-12-21-19(17-27)13-16-32-21/h6-9,13,16H,2-5,10-12,14-15,17H2,1H3,(H,25,28)(H,26,30)
InChIKeyZGNRAKMXKGMPAX-UHFFFAOYSA-N
MW457.60 g/mol
LogP3.83
Rot. Bonds10

About N'-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxobutanoyl]-4-hexoxybenzohydrazide

N'-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxobutanoyl]-4-hexoxybenzohydrazide (PubChem CID 55877866) has the molecular formula C24H31N3O4S and a molecular weight of 457.60 g/mol. Its IUPAC name is N'-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxobutanoyl]-4-hexoxybenzohydrazide.

Molecular Properties

Compound NameN'-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxobutanoyl]-4-hexoxybenzohydrazide
PubChem CID55877866
Molecular FormulaC24H31N3O4S
Molecular Weight457.60 g/mol
Exact Mass457.20
IUPAC NameN'-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxobutanoyl]-4-hexoxybenzohydrazide
SMILESCCCCCCOc1ccc(C(=O)NNC(=O)CCC(=O)N2CCc3sccc3C2)cc1
InChIInChI=1S/C24H31N3O4S/c1-2-3-4-5-15-31-20-8-6-18(7-9-20)24(30)26-25-22(28)10-11-23(29)27-14-12-21-19(17-27)13-16-32-21/h6-9,13,16H,2-5,10-12,14-15,17H2,1H3,(H,25,28)(H,26,30)
InChIKeyZGNRAKMXKGMPAX-UHFFFAOYSA-N
XLogP3.83
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.60
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-heptanoyl-4-hexoxybenzohydrazide
CID 54789289
N'-butanoyl-4-butoxybenzohydrazide
CID 17340318
4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-[3-(2-methoxyethoxy)phenyl]-4-oxobutanamide
CID 55902295
4-hexoxy-N'-(4-oxo-4-phenylbutanoyl)benzohydrazide
CID 46423810
4-(4-docosoxyphenyl)-N'-[4-(4-docosoxyphenyl)benzoyl]benzohydrazide
CID 102344080
4-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethoxy]benzamide
CID 17461255
1-(4-methylpiperazin-1-yl)-4-(4-pentoxyphenyl)butane-1,4-dione
CID 112759546
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(4-methoxyphenoxy)ethanone
CID 42470135
[2-[2-(4-hexoxybenzoyl)hydrazinyl]-2-oxoethyl]urea
CID 94496970
N'-heptanoyl-4-(3-methylbutoxy)benzohydrazide
CID 54789257
2-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-oxopropyl]-1-ethyl-3-(2-phenoxyethyl)guanidine;hydroiodide
CID 111005524
4-hexoxy-N'-[4-(2-phenoxyethoxy)benzoyl]benzohydrazide
CID 4952932

Frequently Asked Questions

What is the IUPAC name of N'-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxobutanoyl]-4-hexoxybenzohydrazide?
The IUPAC name of N'-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxobutanoyl]-4-hexoxybenzohydrazide (CID 55877866) is N'-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxobutanoyl]-4-hexoxybenzohydrazide.
What is the SMILES notation for N'-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxobutanoyl]-4-hexoxybenzohydrazide?
The canonical SMILES for N'-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxobutanoyl]-4-hexoxybenzohydrazide is CCCCCCOc1ccc(C(=O)NNC(=O)CCC(=O)N2CCc3sccc3C2)cc1.
What is the InChIKey of N'-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxobutanoyl]-4-hexoxybenzohydrazide?
The InChIKey is ZGNRAKMXKGMPAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O4S/c1-2-3-4-5-15-31-20-8-6-18(7-9-20)24(30)26-25-22(28)10-11-23(29)27-14-12-21-19(17-27)13-16-32-21/h6-9,13,16H,2-5,10-12,14-15,17H2,1H3,(H,25,28)(H,26,30).
What are the key properties of N'-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxobutanoyl]-4-hexoxybenzohydrazide?
N'-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxobutanoyl]-4-hexoxybenzohydrazide has a molecular weight of 457.60 g/mol, XLogP of 3.83, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxobutanoyl]-4-hexoxybenzohydrazide is sourced from PubChem (CID 55877866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).