N-[(Z)-[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylideneamino]-2-morpholin-4-ylacetamide

C17H18ClN3O3S — CID 126193221

IUPACN-[(Z)-[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylideneamino]-2-morpholin-4-ylacetamide
SMILESO=C(CN1CCOCC1)N/N=C\c1ccc(Sc2ccc(Cl)cc2)o1
InChIInChI=1S/C17H18ClN3O3S/c18-13-1-4-15(5-2-13)25-17-6-3-14(24-17)11-19-20-16(22)12-21-7-9-23-10-8-21/h1-6,11H,7-10,12H2,(H,20,22)/b19-11-
InChIKeyKJQBAZMENNZISW-ODLFYWEKSA-N
MW379.87 g/mol
LogP2.87
Rot. Bonds6

About N-[(Z)-[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylideneamino]-2-morpholin-4-ylacetamide

N-[(Z)-[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylideneamino]-2-morpholin-4-ylacetamide (PubChem CID 126193221) has the molecular formula C17H18ClN3O3S and a molecular weight of 379.87 g/mol. Its IUPAC name is N-[(Z)-[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylideneamino]-2-morpholin-4-ylacetamide.

Molecular Properties

Compound NameN-[(Z)-[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylideneamino]-2-morpholin-4-ylacetamide
PubChem CID126193221
Molecular FormulaC17H18ClN3O3S
Molecular Weight379.87 g/mol
Exact Mass379.08
IUPAC NameN-[(Z)-[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylideneamino]-2-morpholin-4-ylacetamide
SMILESO=C(CN1CCOCC1)N/N=C\c1ccc(Sc2ccc(Cl)cc2)o1
InChIInChI=1S/C17H18ClN3O3S/c18-13-1-4-15(5-2-13)25-17-6-3-14(24-17)11-19-20-16(22)12-21-7-9-23-10-8-21/h1-6,11H,7-10,12H2,(H,20,22)/b19-11-
InChIKeyKJQBAZMENNZISW-ODLFYWEKSA-N
XLogP2.87
TPSA67.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.87
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylideneamino]-2-morpholin-4-ylacetamide?
The IUPAC name of N-[(Z)-[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylideneamino]-2-morpholin-4-ylacetamide (CID 126193221) is N-[(Z)-[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylideneamino]-2-morpholin-4-ylacetamide.
What is the SMILES notation for N-[(Z)-[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylideneamino]-2-morpholin-4-ylacetamide?
The canonical SMILES for N-[(Z)-[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylideneamino]-2-morpholin-4-ylacetamide is O=C(CN1CCOCC1)N/N=C\c1ccc(Sc2ccc(Cl)cc2)o1.
What is the InChIKey of N-[(Z)-[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylideneamino]-2-morpholin-4-ylacetamide?
The InChIKey is KJQBAZMENNZISW-ODLFYWEKSA-N. The full InChI is InChI=1S/C17H18ClN3O3S/c18-13-1-4-15(5-2-13)25-17-6-3-14(24-17)11-19-20-16(22)12-21-7-9-23-10-8-21/h1-6,11H,7-10,12H2,(H,20,22)/b19-11-.
What are the key properties of N-[(Z)-[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylideneamino]-2-morpholin-4-ylacetamide?
N-[(Z)-[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylideneamino]-2-morpholin-4-ylacetamide has a molecular weight of 379.87 g/mol, XLogP of 2.87, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylideneamino]-2-morpholin-4-ylacetamide is sourced from PubChem (CID 126193221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).