2-[(5-chloro-2-methoxyphenyl)methylideneamino]-N-(furan-2-ylmethyl)thiophene-3-carboxamide

C18H15ClN2O3S — CID 40619113

IUPAC2-[(5-chloro-2-methoxyphenyl)methylideneamino]-N-(furan-2-ylmethyl)thiophene-3-carboxamide
SMILESCOc1ccc(Cl)cc1C=Nc1sccc1C(=O)NCc1ccco1
InChIInChI=1S/C18H15ClN2O3S/c1-23-16-5-4-13(19)9-12(16)10-21-18-15(6-8-25-18)17(22)20-11-14-3-2-7-24-14/h2-10H,11H2,1H3,(H,20,22)
InChIKeyROBZCOCFPMCVBR-UHFFFAOYSA-N
MW374.85 g/mol
LogP4.68
Rot. Bonds6

About 2-[(5-chloro-2-methoxyphenyl)methylideneamino]-N-(furan-2-ylmethyl)thiophene-3-carboxamide

2-[(5-chloro-2-methoxyphenyl)methylideneamino]-N-(furan-2-ylmethyl)thiophene-3-carboxamide (PubChem CID 40619113) has the molecular formula C18H15ClN2O3S and a molecular weight of 374.85 g/mol. Its IUPAC name is 2-[(5-chloro-2-methoxyphenyl)methylideneamino]-N-(furan-2-ylmethyl)thiophene-3-carboxamide.

Molecular Properties

Compound Name2-[(5-chloro-2-methoxyphenyl)methylideneamino]-N-(furan-2-ylmethyl)thiophene-3-carboxamide
PubChem CID40619113
Molecular FormulaC18H15ClN2O3S
Molecular Weight374.85 g/mol
Exact Mass374.05
IUPAC Name2-[(5-chloro-2-methoxyphenyl)methylideneamino]-N-(furan-2-ylmethyl)thiophene-3-carboxamide
SMILESCOc1ccc(Cl)cc1C=Nc1sccc1C(=O)NCc1ccco1
InChIInChI=1S/C18H15ClN2O3S/c1-23-16-5-4-13(19)9-12(16)10-21-18-15(6-8-25-18)17(22)20-11-14-3-2-7-24-14/h2-10H,11H2,1H3,(H,20,22)
InChIKeyROBZCOCFPMCVBR-UHFFFAOYSA-N
XLogP4.68
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.85
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[(E)-(5-chloro-2-methoxyphenyl)methylideneamino]-N-(4-chlorophenyl)thiophene-3-carboxamide
CID 17371882
2-[(E)-[5-chloro-2-(2-methylpropoxy)phenyl]methylideneamino]-N-propylthiophene-3-carboxamide
CID 17371873
2-[[5-chloro-2-(2-methylpropoxy)phenyl]methylideneamino]-N-propylthiophene-3-carboxamide
CID 40610904
2-[(E)-(5-bromo-2-ethoxyphenyl)methylideneamino]-N-[(4-chlorophenyl)methyl]thiophene-3-carboxamide
CID 17371877
3-N-(5-chloro-2-methoxyphenyl)-1-N-(furan-2-ylmethyl)benzene-1,3-dicarboxamide
CID 109054027
N-(furan-2-ylmethyl)-2,4,5-trimethoxybenzamide
CID 1089288
2,5-dichloro-N-(furan-2-ylmethyl)benzamide
CID 690467
N-(furan-2-ylmethyl)-2-[(2,4,5-trimethoxyphenyl)methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 126096773
2-[[5-chloro-2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(furan-2-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 126092300
[2-(furan-2-ylmethylamino)-2-oxoethyl] 5-chloro-2-methoxybenzoate
CID 2629968
5-tert-butyl-N-(furan-2-ylmethyl)-2-methoxybenzamide
CID 110761322
N-(furan-2-ylmethyl)-2,4-dimethoxybenzamide
CID 3118683

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-2-methoxyphenyl)methylideneamino]-N-(furan-2-ylmethyl)thiophene-3-carboxamide?
The IUPAC name of 2-[(5-chloro-2-methoxyphenyl)methylideneamino]-N-(furan-2-ylmethyl)thiophene-3-carboxamide (CID 40619113) is 2-[(5-chloro-2-methoxyphenyl)methylideneamino]-N-(furan-2-ylmethyl)thiophene-3-carboxamide.
What is the SMILES notation for 2-[(5-chloro-2-methoxyphenyl)methylideneamino]-N-(furan-2-ylmethyl)thiophene-3-carboxamide?
The canonical SMILES for 2-[(5-chloro-2-methoxyphenyl)methylideneamino]-N-(furan-2-ylmethyl)thiophene-3-carboxamide is COc1ccc(Cl)cc1C=Nc1sccc1C(=O)NCc1ccco1.
What is the InChIKey of 2-[(5-chloro-2-methoxyphenyl)methylideneamino]-N-(furan-2-ylmethyl)thiophene-3-carboxamide?
The InChIKey is ROBZCOCFPMCVBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2O3S/c1-23-16-5-4-13(19)9-12(16)10-21-18-15(6-8-25-18)17(22)20-11-14-3-2-7-24-14/h2-10H,11H2,1H3,(H,20,22).
What are the key properties of 2-[(5-chloro-2-methoxyphenyl)methylideneamino]-N-(furan-2-ylmethyl)thiophene-3-carboxamide?
2-[(5-chloro-2-methoxyphenyl)methylideneamino]-N-(furan-2-ylmethyl)thiophene-3-carboxamide has a molecular weight of 374.85 g/mol, XLogP of 4.68, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-2-methoxyphenyl)methylideneamino]-N-(furan-2-ylmethyl)thiophene-3-carboxamide is sourced from PubChem (CID 40619113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).