2-(3-chlorophenyl)-2-phenylimino-1-thiophen-2-ylethanone

C18H12ClNOS — CID 10042022

IUPAC2-(3-chlorophenyl)-2-phenylimino-1-thiophen-2-ylethanone
SMILESO=C(/C(=N/c1ccccc1)c1cccc(Cl)c1)c1cccs1
InChIInChI=1S/C18H12ClNOS/c19-14-7-4-6-13(12-14)17(18(21)16-10-5-11-22-16)20-15-8-2-1-3-9-15/h1-12H/b20-17+
InChIKeyMSJHRDPJRULIBP-LVZFUZTISA-N
MW325.82 g/mol
LogP5.41
Rot. Bonds4

About 2-(3-chlorophenyl)-2-phenylimino-1-thiophen-2-ylethanone

2-(3-chlorophenyl)-2-phenylimino-1-thiophen-2-ylethanone (PubChem CID 10042022) has the molecular formula C18H12ClNOS and a molecular weight of 325.82 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-2-phenylimino-1-thiophen-2-ylethanone.

Molecular Properties

Compound Name2-(3-chlorophenyl)-2-phenylimino-1-thiophen-2-ylethanone
PubChem CID10042022
Molecular FormulaC18H12ClNOS
Molecular Weight325.82 g/mol
Exact Mass325.03
IUPAC Name2-(3-chlorophenyl)-2-phenylimino-1-thiophen-2-ylethanone
SMILESO=C(/C(=N/c1ccccc1)c1cccc(Cl)c1)c1cccs1
InChIInChI=1S/C18H12ClNOS/c19-14-7-4-6-13(12-14)17(18(21)16-10-5-11-22-16)20-15-8-2-1-3-9-15/h1-12H/b20-17+
InChIKeyMSJHRDPJRULIBP-LVZFUZTISA-N
XLogP5.41
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.82
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-(4-nitrophenyl)-2-phenylimino-1-thiophen-2-ylethanone
CID 10382366
1-phenyl-2-thiophen-2-ylethane-1,2-dione
CID 2175267
ethyl 2-(3-chlorophenyl)imino-2-thiophen-2-ylacetate
CID 13255860
2-phenyl-1-thiophen-2-ylprop-2-en-1-one
CID 3007406
benzoic acid;3-chlorobenzoic acid
CID 162034638
N-[[4-[(3-chlorophenyl)methylcarbamoyl]phenyl]methyl]thiophene-2-carboxamide
CID 55753115
3-chloro-N-hydroxy-N-phenylbenzamide
CID 73332862
tetrakis(3-chlorobenzoic acid);bis(rhodium)
CID 11967271
N-[2-(3-chlorophenyl)pyrimidin-5-yl]thiophene-2-carboxamide
CID 87050770
3-chloro-N-(2-thiophen-2-ylethyl)benzamide
CID 18111212
(1Z)-1-(3-chlorophenyl)-1-hydroxyiminopropan-2-one
CID 131741133
3-chloro-N-(2-hydroxy-2-thiophen-2-ylethyl)benzamide
CID 71683855

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-2-phenylimino-1-thiophen-2-ylethanone?
The IUPAC name of 2-(3-chlorophenyl)-2-phenylimino-1-thiophen-2-ylethanone (CID 10042022) is 2-(3-chlorophenyl)-2-phenylimino-1-thiophen-2-ylethanone.
What is the SMILES notation for 2-(3-chlorophenyl)-2-phenylimino-1-thiophen-2-ylethanone?
The canonical SMILES for 2-(3-chlorophenyl)-2-phenylimino-1-thiophen-2-ylethanone is O=C(/C(=N/c1ccccc1)c1cccc(Cl)c1)c1cccs1.
What is the InChIKey of 2-(3-chlorophenyl)-2-phenylimino-1-thiophen-2-ylethanone?
The InChIKey is MSJHRDPJRULIBP-LVZFUZTISA-N. The full InChI is InChI=1S/C18H12ClNOS/c19-14-7-4-6-13(12-14)17(18(21)16-10-5-11-22-16)20-15-8-2-1-3-9-15/h1-12H/b20-17+.
What are the key properties of 2-(3-chlorophenyl)-2-phenylimino-1-thiophen-2-ylethanone?
2-(3-chlorophenyl)-2-phenylimino-1-thiophen-2-ylethanone has a molecular weight of 325.82 g/mol, XLogP of 5.41, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-2-phenylimino-1-thiophen-2-ylethanone is sourced from PubChem (CID 10042022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).