N-[2-[[(Z)-(2,6-dichlorophenyl)methylideneamino]carbamoyl]phenyl]thiophene-2-carboxamide

C19H13Cl2N3O2S — CID 94844709

IUPACN-[2-[[(Z)-(2,6-dichlorophenyl)methylideneamino]carbamoyl]phenyl]thiophene-2-carboxamide
SMILESO=C(Nc1ccccc1C(=O)N/N=C\c1c(Cl)cccc1Cl)c1cccs1
InChIInChI=1S/C19H13Cl2N3O2S/c20-14-6-3-7-15(21)13(14)11-22-24-18(25)12-5-1-2-8-16(12)23-19(26)17-9-4-10-27-17/h1-11H,(H,23,26)(H,24,25)/b22-11-
InChIKeyDWVDSKOWOCFYRD-JJFYIABZSA-N
MW418.31 g/mol
LogP5.07
Rot. Bonds5

About N-[2-[[(Z)-(2,6-dichlorophenyl)methylideneamino]carbamoyl]phenyl]thiophene-2-carboxamide

N-[2-[[(Z)-(2,6-dichlorophenyl)methylideneamino]carbamoyl]phenyl]thiophene-2-carboxamide (PubChem CID 94844709) has the molecular formula C19H13Cl2N3O2S and a molecular weight of 418.31 g/mol. Its IUPAC name is N-[2-[[(Z)-(2,6-dichlorophenyl)methylideneamino]carbamoyl]phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[[(Z)-(2,6-dichlorophenyl)methylideneamino]carbamoyl]phenyl]thiophene-2-carboxamide
PubChem CID94844709
Molecular FormulaC19H13Cl2N3O2S
Molecular Weight418.31 g/mol
Exact Mass417.01
IUPAC NameN-[2-[[(Z)-(2,6-dichlorophenyl)methylideneamino]carbamoyl]phenyl]thiophene-2-carboxamide
SMILESO=C(Nc1ccccc1C(=O)N/N=C\c1c(Cl)cccc1Cl)c1cccs1
InChIInChI=1S/C19H13Cl2N3O2S/c20-14-6-3-7-15(21)13(14)11-22-24-18(25)12-5-1-2-8-16(12)23-19(26)17-9-4-10-27-17/h1-11H,(H,23,26)(H,24,25)/b22-11-
InChIKeyDWVDSKOWOCFYRD-JJFYIABZSA-N
XLogP5.07
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.31
LogP ≤ 55.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

N-[2-[[(2-chlorophenyl)methylideneamino]carbamoyl]phenyl]thiophene-2-carboxamide
CID 1284890
N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-2-[(2-fluorobenzoyl)amino]benzamide
CID 94831737
N-[2-[[(4-methylsulfanylphenyl)methylideneamino]carbamoyl]phenyl]thiophene-2-carboxamide
CID 1284880
N-(2-chlorophenyl)thiophene-2-carboxamide
CID 652985
N-[2-[[(4-ethoxyphenyl)methylideneamino]carbamoyl]phenyl]thiophene-2-carboxamide
CID 1284873
2-amino-N-[(2,6-dichlorophenyl)methylideneamino]benzamide
CID 680916
N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-2-methylbenzamide
CID 5418287
[2,6-dimethoxy-4-[[[2-(thiophene-2-carbonylamino)benzoyl]hydrazinylidene]methyl]phenyl] acetate
CID 6737056
N-[(2-chloro-6-hydroxyphenyl)methylideneamino]-2-hydroxybenzamide
CID 137029868
N-[2-[[(Z)-[4-[(3,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]carbamoyl]phenyl]thiophene-2-carboxamide
CID 126162166
[4-[(Z)-[(2-chlorobenzoyl)hydrazinylidene]methyl]phenyl] thiophene-2-carboxylate
CID 110509291
2-chloro-N-[(Z)-(2,6-dimethylphenyl)methylideneamino]benzamide
CID 7416956

Frequently Asked Questions

What is the IUPAC name of N-[2-[[(Z)-(2,6-dichlorophenyl)methylideneamino]carbamoyl]phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-[[(Z)-(2,6-dichlorophenyl)methylideneamino]carbamoyl]phenyl]thiophene-2-carboxamide (CID 94844709) is N-[2-[[(Z)-(2,6-dichlorophenyl)methylideneamino]carbamoyl]phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-[[(Z)-(2,6-dichlorophenyl)methylideneamino]carbamoyl]phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-[[(Z)-(2,6-dichlorophenyl)methylideneamino]carbamoyl]phenyl]thiophene-2-carboxamide is O=C(Nc1ccccc1C(=O)N/N=C\c1c(Cl)cccc1Cl)c1cccs1.
What is the InChIKey of N-[2-[[(Z)-(2,6-dichlorophenyl)methylideneamino]carbamoyl]phenyl]thiophene-2-carboxamide?
The InChIKey is DWVDSKOWOCFYRD-JJFYIABZSA-N. The full InChI is InChI=1S/C19H13Cl2N3O2S/c20-14-6-3-7-15(21)13(14)11-22-24-18(25)12-5-1-2-8-16(12)23-19(26)17-9-4-10-27-17/h1-11H,(H,23,26)(H,24,25)/b22-11-.
What are the key properties of N-[2-[[(Z)-(2,6-dichlorophenyl)methylideneamino]carbamoyl]phenyl]thiophene-2-carboxamide?
N-[2-[[(Z)-(2,6-dichlorophenyl)methylideneamino]carbamoyl]phenyl]thiophene-2-carboxamide has a molecular weight of 418.31 g/mol, XLogP of 5.07, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(Z)-(2,6-dichlorophenyl)methylideneamino]carbamoyl]phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 94844709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).