N-(4-chlorophenyl)-2-[[2-(2-methylpropoxy)phenyl]methylideneamino]thiophene-3-carboxamide

C22H21ClN2O2S — CID 40609551

IUPACN-(4-chlorophenyl)-2-[[2-(2-methylpropoxy)phenyl]methylideneamino]thiophene-3-carboxamide
SMILESCC(C)COc1ccccc1C=Nc1sccc1C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C22H21ClN2O2S/c1-15(2)14-27-20-6-4-3-5-16(20)13-24-22-19(11-12-28-22)21(26)25-18-9-7-17(23)8-10-18/h3-13,15H,14H2,1-2H3,(H,25,26)
InChIKeyVHSXTPRJHARBKM-UHFFFAOYSA-N
MW412.94 g/mol
LogP6.44
Rot. Bonds7

About N-(4-chlorophenyl)-2-[[2-(2-methylpropoxy)phenyl]methylideneamino]thiophene-3-carboxamide

N-(4-chlorophenyl)-2-[[2-(2-methylpropoxy)phenyl]methylideneamino]thiophene-3-carboxamide (PubChem CID 40609551) has the molecular formula C22H21ClN2O2S and a molecular weight of 412.94 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-[[2-(2-methylpropoxy)phenyl]methylideneamino]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-[[2-(2-methylpropoxy)phenyl]methylideneamino]thiophene-3-carboxamide
PubChem CID40609551
Molecular FormulaC22H21ClN2O2S
Molecular Weight412.94 g/mol
Exact Mass412.10
IUPAC NameN-(4-chlorophenyl)-2-[[2-(2-methylpropoxy)phenyl]methylideneamino]thiophene-3-carboxamide
SMILESCC(C)COc1ccccc1C=Nc1sccc1C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C22H21ClN2O2S/c1-15(2)14-27-20-6-4-3-5-16(20)13-24-22-19(11-12-28-22)21(26)25-18-9-7-17(23)8-10-18/h3-13,15H,14H2,1-2H3,(H,25,26)
InChIKeyVHSXTPRJHARBKM-UHFFFAOYSA-N
XLogP6.44
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.94
LogP ≤ 56.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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-chloro-2-methoxyphenyl)methylideneamino]-N-(4-chlorophenyl)thiophene-3-carboxamide
CID 17371882
4-chloro-N-[(E)-[2-(2-methylpropoxy)phenyl]methylideneamino]benzenesulfonamide
CID 110516226
N-[3-[(3-chloro-4-fluorophenyl)carbamoyl]phenyl]-2-(2-methylpropoxy)benzamide
CID 26166788
3-chloro-N-[[2-(2-methylpropoxy)phenyl]methylideneamino]aniline
CID 110840296
N-[4-(methylcarbamoyl)phenyl]-2-(2-methylpropoxy)benzamide
CID 28642656
N-(4-chlorophenyl)-N'-[(2-ethoxyphenyl)methylideneamino]oxamide
CID 4663699
N-(3-chloro-4-methoxyphenyl)-2-(2-methylpropoxy)benzamide
CID 4945530
N-[(Z)-[2-(2-methylpropoxy)phenyl]methylideneamino]pyridine-3-carboxamide
CID 110510127
2-chloro-N-[2-(2-methylpropoxy)phenyl]benzamide
CID 17074225
N-[(E)-[2-(2-methylpropoxy)phenyl]methylideneamino]-2-oxo-6-thiophen-2-yl-1H-pyrimidine-4-carboxamide
CID 110525663

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-[[2-(2-methylpropoxy)phenyl]methylideneamino]thiophene-3-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-2-[[2-(2-methylpropoxy)phenyl]methylideneamino]thiophene-3-carboxamide (CID 40609551) is N-(4-chlorophenyl)-2-[[2-(2-methylpropoxy)phenyl]methylideneamino]thiophene-3-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-[[2-(2-methylpropoxy)phenyl]methylideneamino]thiophene-3-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-2-[[2-(2-methylpropoxy)phenyl]methylideneamino]thiophene-3-carboxamide is CC(C)COc1ccccc1C=Nc1sccc1C(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-2-[[2-(2-methylpropoxy)phenyl]methylideneamino]thiophene-3-carboxamide?
The InChIKey is VHSXTPRJHARBKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN2O2S/c1-15(2)14-27-20-6-4-3-5-16(20)13-24-22-19(11-12-28-22)21(26)25-18-9-7-17(23)8-10-18/h3-13,15H,14H2,1-2H3,(H,25,26).
What are the key properties of N-(4-chlorophenyl)-2-[[2-(2-methylpropoxy)phenyl]methylideneamino]thiophene-3-carboxamide?
N-(4-chlorophenyl)-2-[[2-(2-methylpropoxy)phenyl]methylideneamino]thiophene-3-carboxamide has a molecular weight of 412.94 g/mol, XLogP of 6.44, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-[[2-(2-methylpropoxy)phenyl]methylideneamino]thiophene-3-carboxamide is sourced from PubChem (CID 40609551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).