4-heptoxy-N-(morpholine-4-carbothioyl)benzamide

C19H28N2O3S — CID 4950894

IUPAC4-heptoxy-N-(morpholine-4-carbothioyl)benzamide
SMILESCCCCCCCOc1ccc(C(=O)NC(=S)N2CCOCC2)cc1
InChIInChI=1S/C19H28N2O3S/c1-2-3-4-5-6-13-24-17-9-7-16(8-10-17)18(22)20-19(25)21-11-14-23-15-12-21/h7-10H,2-6,11-15H2,1H3,(H,20,22,25)
InChIKeyBTZDUVGSNWEDJJ-UHFFFAOYSA-N
MW364.51 g/mol
LogP3.38
Rot. Bonds8

About 4-heptoxy-N-(morpholine-4-carbothioyl)benzamide

4-heptoxy-N-(morpholine-4-carbothioyl)benzamide (PubChem CID 4950894) has the molecular formula C19H28N2O3S and a molecular weight of 364.51 g/mol. Its IUPAC name is 4-heptoxy-N-(morpholine-4-carbothioyl)benzamide.

Molecular Properties

Compound Name4-heptoxy-N-(morpholine-4-carbothioyl)benzamide
PubChem CID4950894
Molecular FormulaC19H28N2O3S
Molecular Weight364.51 g/mol
Exact Mass364.18
IUPAC Name4-heptoxy-N-(morpholine-4-carbothioyl)benzamide
SMILESCCCCCCCOc1ccc(C(=O)NC(=S)N2CCOCC2)cc1
InChIInChI=1S/C19H28N2O3S/c1-2-3-4-5-6-13-24-17-9-7-16(8-10-17)18(22)20-19(25)21-11-14-23-15-12-21/h7-10H,2-6,11-15H2,1H3,(H,20,22,25)
InChIKeyBTZDUVGSNWEDJJ-UHFFFAOYSA-N
XLogP3.38
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.51
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

N-(azepane-1-carbothioyl)-4-heptoxybenzamide
CID 4950908
4-pentoxy-N-(4-phenylpiperazine-1-carbothioyl)benzamide
CID 17175938
N-[4-(2-cyanoethyl)piperazine-1-carbothioyl]-4-pentoxybenzamide
CID 54788390
morpholin-4-yl-[4-(4-octoxyphenyl)phenyl]methanone
CID 3399674
4-butan-2-yloxy-N-(morpholine-4-carbothioyl)benzamide
CID 17141521
4-butoxy-N-[4-(2-hydroxyethyl)piperazin-4-ium-1-carbothioyl]benzamide
CID 8714615
4-ethoxy-N-(pyrrolidine-1-carbothioyl)benzamide
CID 4948914
N-(morpholine-4-carbothioyl)-3-(2-phenoxyethoxy)benzamide
CID 4955233
4-hexoxy-N'-(4-morpholin-4-ylsulfonylbenzoyl)benzohydrazide
CID 24677372
4-heptoxy-N-methylbenzamide
CID 3291691
4-hexoxy-N-[[(4-hexoxybenzoyl)amino]carbamothioyl]benzamide
CID 4934719
N-(ethylcarbamothioyl)-4-hexoxybenzamide
CID 4934176

Frequently Asked Questions

What is the IUPAC name of 4-heptoxy-N-(morpholine-4-carbothioyl)benzamide?
The IUPAC name of 4-heptoxy-N-(morpholine-4-carbothioyl)benzamide (CID 4950894) is 4-heptoxy-N-(morpholine-4-carbothioyl)benzamide.
What is the SMILES notation for 4-heptoxy-N-(morpholine-4-carbothioyl)benzamide?
The canonical SMILES for 4-heptoxy-N-(morpholine-4-carbothioyl)benzamide is CCCCCCCOc1ccc(C(=O)NC(=S)N2CCOCC2)cc1.
What is the InChIKey of 4-heptoxy-N-(morpholine-4-carbothioyl)benzamide?
The InChIKey is BTZDUVGSNWEDJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O3S/c1-2-3-4-5-6-13-24-17-9-7-16(8-10-17)18(22)20-19(25)21-11-14-23-15-12-21/h7-10H,2-6,11-15H2,1H3,(H,20,22,25).
What are the key properties of 4-heptoxy-N-(morpholine-4-carbothioyl)benzamide?
4-heptoxy-N-(morpholine-4-carbothioyl)benzamide has a molecular weight of 364.51 g/mol, XLogP of 3.38, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-heptoxy-N-(morpholine-4-carbothioyl)benzamide is sourced from PubChem (CID 4950894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).