2-(4-chlorophenyl)sulfanyl-N-[(Z)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]acetamide

C17H18ClN3O2S2 — CID 9121609

IUPAC2-(4-chlorophenyl)sulfanyl-N-[(Z)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]acetamide
SMILESO=C(CSc1ccc(Cl)cc1)N/N=C\c1ccc(N2CCOCC2)s1
InChIInChI=1S/C17H18ClN3O2S2/c18-13-1-3-14(4-2-13)24-12-16(22)20-19-11-15-5-6-17(25-15)21-7-9-23-10-8-21/h1-6,11H,7-10,12H2,(H,20,22)/b19-11-
InChIKeyQTXAOGONAMYVNH-ODLFYWEKSA-N
MW395.94 g/mol
LogP3.48
Rot. Bonds6

About 2-(4-chlorophenyl)sulfanyl-N-[(Z)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]acetamide

2-(4-chlorophenyl)sulfanyl-N-[(Z)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]acetamide (PubChem CID 9121609) has the molecular formula C17H18ClN3O2S2 and a molecular weight of 395.94 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfanyl-N-[(Z)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)sulfanyl-N-[(Z)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]acetamide
PubChem CID9121609
Molecular FormulaC17H18ClN3O2S2
Molecular Weight395.94 g/mol
Exact Mass395.05
IUPAC Name2-(4-chlorophenyl)sulfanyl-N-[(Z)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]acetamide
SMILESO=C(CSc1ccc(Cl)cc1)N/N=C\c1ccc(N2CCOCC2)s1
InChIInChI=1S/C17H18ClN3O2S2/c18-13-1-3-14(4-2-13)24-12-16(22)20-19-11-15-5-6-17(25-15)21-7-9-23-10-8-21/h1-6,11H,7-10,12H2,(H,20,22)/b19-11-
InChIKeyQTXAOGONAMYVNH-ODLFYWEKSA-N
XLogP3.48
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.94
LogP ≤ 53.48
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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Related Compounds

2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(E)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]acetamide
CID 16556147
2-(4-chlorophenoxy)-N-[(Z)-(5-piperidin-1-ylthiophen-2-yl)methylideneamino]acetamide
CID 9358609
N-cyclopropyl-N'-[(Z)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]oxamide
CID 9352428
4-chloro-N-[(Z)-(5-piperidin-1-ylthiophen-2-yl)methylideneamino]benzamide
CID 9060165
2-(4-chlorophenyl)sulfanyl-N-[(Z)-[4-(4-chlorophenyl)sulfanylphenyl]methylideneamino]acetamide
CID 126217149
3-hydroxy-N-[(E)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]benzamide
CID 6911488
2-(2-methylbenzimidazol-1-yl)-N-[(Z)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]acetamide
CID 9121478
2-(4-chlorophenyl)sulfanyl-N-[(Z)-(3-methylthiophen-2-yl)methylideneamino]acetamide
CID 9121577
3-chloro-N-[(Z)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]aniline
CID 6302768
N-(3-amino-4-morpholin-4-ylphenyl)-2-(4-chlorophenyl)sulfanylacetamide
CID 28689034
N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2-(4-chlorophenyl)sulfanylacetamide
CID 5410750
2-(4-chlorophenyl)sulfanyl-N-[(Z)-(4-phenylsulfanylphenyl)methylideneamino]acetamide
CID 126225088

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-[(Z)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]acetamide?
The IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-[(Z)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]acetamide (CID 9121609) is 2-(4-chlorophenyl)sulfanyl-N-[(Z)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)sulfanyl-N-[(Z)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]acetamide?
The canonical SMILES for 2-(4-chlorophenyl)sulfanyl-N-[(Z)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]acetamide is O=C(CSc1ccc(Cl)cc1)N/N=C\c1ccc(N2CCOCC2)s1.
What is the InChIKey of 2-(4-chlorophenyl)sulfanyl-N-[(Z)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]acetamide?
The InChIKey is QTXAOGONAMYVNH-ODLFYWEKSA-N. The full InChI is InChI=1S/C17H18ClN3O2S2/c18-13-1-3-14(4-2-13)24-12-16(22)20-19-11-15-5-6-17(25-15)21-7-9-23-10-8-21/h1-6,11H,7-10,12H2,(H,20,22)/b19-11-.
What are the key properties of 2-(4-chlorophenyl)sulfanyl-N-[(Z)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]acetamide?
2-(4-chlorophenyl)sulfanyl-N-[(Z)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]acetamide has a molecular weight of 395.94 g/mol, XLogP of 3.48, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)sulfanyl-N-[(Z)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]acetamide is sourced from PubChem (CID 9121609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).