O-[6-[[5-(morpholine-4-carbonyl)furan-2-yl]amino]-6-oxohexyl] ethanethioate

C17H24N2O5S — CID 91027638

IUPACO-[6-[[5-(morpholine-4-carbonyl)furan-2-yl]amino]-6-oxohexyl] ethanethioate
SMILESCC(=S)OCCCCCC(=O)Nc1ccc(C(=O)N2CCOCC2)o1
InChIInChI=1S/C17H24N2O5S/c1-13(25)23-10-4-2-3-5-15(20)18-16-7-6-14(24-16)17(21)19-8-11-22-12-9-19/h6-7H,2-5,8-12H2,1H3,(H,18,20)
InChIKeyUPCAUHYPRLYPEO-UHFFFAOYSA-N
MW368.46 g/mol
LogP2.61
Rot. Bonds8

About O-[6-[[5-(morpholine-4-carbonyl)furan-2-yl]amino]-6-oxohexyl] ethanethioate

O-[6-[[5-(morpholine-4-carbonyl)furan-2-yl]amino]-6-oxohexyl] ethanethioate (PubChem CID 91027638) has the molecular formula C17H24N2O5S and a molecular weight of 368.46 g/mol. Its IUPAC name is O-[6-[[5-(morpholine-4-carbonyl)furan-2-yl]amino]-6-oxohexyl] ethanethioate.

Molecular Properties

Compound NameO-[6-[[5-(morpholine-4-carbonyl)furan-2-yl]amino]-6-oxohexyl] ethanethioate
PubChem CID91027638
Molecular FormulaC17H24N2O5S
Molecular Weight368.46 g/mol
Exact Mass368.14
IUPAC NameO-[6-[[5-(morpholine-4-carbonyl)furan-2-yl]amino]-6-oxohexyl] ethanethioate
SMILESCC(=S)OCCCCCC(=O)Nc1ccc(C(=O)N2CCOCC2)o1
InChIInChI=1S/C17H24N2O5S/c1-13(25)23-10-4-2-3-5-15(20)18-16-7-6-14(24-16)17(21)19-8-11-22-12-9-19/h6-7H,2-5,8-12H2,1H3,(H,18,20)
InChIKeyUPCAUHYPRLYPEO-UHFFFAOYSA-N
XLogP2.61
TPSA81.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze O-[6-[[5-(morpholine-4-carbonyl)furan-2-yl]amino]-6-oxohexyl] ethanethioate 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

6-bromo-N-[5-(morpholine-4-carbonyl)furan-2-yl]hexanamide
CID 69403663
[5-(morpholine-4-carbonyl)furan-2-yl]-morpholin-4-ylmethanone
CID 165349427
1-[5-(morpholine-4-carbonyl)furan-2-yl]ethanone
CID 162740880
N,N'-bis[2-(morpholine-4-carbonyl)phenyl]decanediamide
CID 17080133
7-amino-N-[2-(morpholine-4-carbonyl)phenyl]heptanamide
CID 119703947
N-[[2-(morpholine-4-carbonyl)phenyl]carbamothioyl]tetradecanamide
CID 54791918
N-[4-(morpholin-4-ylmethyl)phenyl]octadecanamide
CID 108730937
(5-bromofuran-2-yl)-(1,4-oxazepan-4-yl)methanone
CID 62060856
2-methoxyethyl 4-[4-(morpholine-4-carbonyl)anilino]-4-oxobutanoate
CID 17194785
4-amino-N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]pentanamide
CID 120559975
5-[4-(morpholine-4-carbonyl)anilino]-5-oxopentanoate
CID 6953068
5-(3-oxononanoylamino)furan-2-carboxylic acid
CID 23032339

Frequently Asked Questions

What is the IUPAC name of O-[6-[[5-(morpholine-4-carbonyl)furan-2-yl]amino]-6-oxohexyl] ethanethioate?
The IUPAC name of O-[6-[[5-(morpholine-4-carbonyl)furan-2-yl]amino]-6-oxohexyl] ethanethioate (CID 91027638) is O-[6-[[5-(morpholine-4-carbonyl)furan-2-yl]amino]-6-oxohexyl] ethanethioate.
What is the SMILES notation for O-[6-[[5-(morpholine-4-carbonyl)furan-2-yl]amino]-6-oxohexyl] ethanethioate?
The canonical SMILES for O-[6-[[5-(morpholine-4-carbonyl)furan-2-yl]amino]-6-oxohexyl] ethanethioate is CC(=S)OCCCCCC(=O)Nc1ccc(C(=O)N2CCOCC2)o1.
What is the InChIKey of O-[6-[[5-(morpholine-4-carbonyl)furan-2-yl]amino]-6-oxohexyl] ethanethioate?
The InChIKey is UPCAUHYPRLYPEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O5S/c1-13(25)23-10-4-2-3-5-15(20)18-16-7-6-14(24-16)17(21)19-8-11-22-12-9-19/h6-7H,2-5,8-12H2,1H3,(H,18,20).
What are the key properties of O-[6-[[5-(morpholine-4-carbonyl)furan-2-yl]amino]-6-oxohexyl] ethanethioate?
O-[6-[[5-(morpholine-4-carbonyl)furan-2-yl]amino]-6-oxohexyl] ethanethioate has a molecular weight of 368.46 g/mol, XLogP of 2.61, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for O-[6-[[5-(morpholine-4-carbonyl)furan-2-yl]amino]-6-oxohexyl] ethanethioate is sourced from PubChem (CID 91027638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).