N-[2-[[(2-chlorophenyl)methylideneamino]carbamoyl]phenyl]thiophene-2-carboxamide

C19H14ClN3O2S — CID 1284890

IUPACN-[2-[[(2-chlorophenyl)methylideneamino]carbamoyl]phenyl]thiophene-2-carboxamide
SMILESO=C(Nc1ccccc1C(=O)NN=Cc1ccccc1Cl)c1cccs1
InChIInChI=1S/C19H14ClN3O2S/c20-15-8-3-1-6-13(15)12-21-23-18(24)14-7-2-4-9-16(14)22-19(25)17-10-5-11-26-17/h1-12H,(H,22,25)(H,23,24)
InChIKeyADLLETYSMAVVOH-UHFFFAOYSA-N
MW383.86 g/mol
LogP4.42
Rot. Bonds5

About N-[2-[[(2-chlorophenyl)methylideneamino]carbamoyl]phenyl]thiophene-2-carboxamide

N-[2-[[(2-chlorophenyl)methylideneamino]carbamoyl]phenyl]thiophene-2-carboxamide (PubChem CID 1284890) has the molecular formula C19H14ClN3O2S and a molecular weight of 383.86 g/mol. Its IUPAC name is N-[2-[[(2-chlorophenyl)methylideneamino]carbamoyl]phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[[(2-chlorophenyl)methylideneamino]carbamoyl]phenyl]thiophene-2-carboxamide
PubChem CID1284890
Molecular FormulaC19H14ClN3O2S
Molecular Weight383.86 g/mol
Exact Mass383.05
IUPAC NameN-[2-[[(2-chlorophenyl)methylideneamino]carbamoyl]phenyl]thiophene-2-carboxamide
SMILESO=C(Nc1ccccc1C(=O)NN=Cc1ccccc1Cl)c1cccs1
InChIInChI=1S/C19H14ClN3O2S/c20-15-8-3-1-6-13(15)12-21-23-18(24)14-7-2-4-9-16(14)22-19(25)17-10-5-11-26-17/h1-12H,(H,22,25)(H,23,24)
InChIKeyADLLETYSMAVVOH-UHFFFAOYSA-N
XLogP4.42
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.86
LogP ≤ 54.42
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-[[(Z)-(2,6-dichlorophenyl)methylideneamino]carbamoyl]phenyl]thiophene-2-carboxamide
CID 94844709
N-[2-[[(4-methylsulfanylphenyl)methylideneamino]carbamoyl]phenyl]thiophene-2-carboxamide
CID 1284880
N-(2-chlorophenyl)thiophene-2-carboxamide
CID 652985
N-[(E)-(2-iodophenyl)methylideneamino]thiophene-2-carboxamide
CID 6910346
N-[2-[[(4-ethoxyphenyl)methylideneamino]carbamoyl]phenyl]thiophene-2-carboxamide
CID 1284873
2-bromo-N-[(2-chlorophenyl)methylideneamino]benzamide
CID 4148800
[2,6-dimethoxy-4-[[[2-(thiophene-2-carbonylamino)benzoyl]hydrazinylidene]methyl]phenyl] acetate
CID 6737056
N-[2-[(4-chlorophenyl)carbamoyl]phenyl]-N'-[(Z)-(2-chlorophenyl)methylideneamino]oxamide
CID 6161305
N-[2-[[(Z)-[4-[(3,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]carbamoyl]phenyl]thiophene-2-carboxamide
CID 126162166
N-[(E)-(2-chlorophenyl)methylideneamino]-4,5-dimethylthiophene-3-carboxamide
CID 6875053
N-[(Z)-(2-chlorophenyl)methylideneamino]-4,5-dimethylthiophene-3-carboxamide
CID 5412225
[4-[(Z)-[(2-chlorobenzoyl)hydrazinylidene]methyl]phenyl] thiophene-2-carboxylate
CID 110509291

Frequently Asked Questions

What is the IUPAC name of N-[2-[[(2-chlorophenyl)methylideneamino]carbamoyl]phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-[[(2-chlorophenyl)methylideneamino]carbamoyl]phenyl]thiophene-2-carboxamide (CID 1284890) is N-[2-[[(2-chlorophenyl)methylideneamino]carbamoyl]phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-[[(2-chlorophenyl)methylideneamino]carbamoyl]phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-[[(2-chlorophenyl)methylideneamino]carbamoyl]phenyl]thiophene-2-carboxamide is O=C(Nc1ccccc1C(=O)NN=Cc1ccccc1Cl)c1cccs1.
What is the InChIKey of N-[2-[[(2-chlorophenyl)methylideneamino]carbamoyl]phenyl]thiophene-2-carboxamide?
The InChIKey is ADLLETYSMAVVOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClN3O2S/c20-15-8-3-1-6-13(15)12-21-23-18(24)14-7-2-4-9-16(14)22-19(25)17-10-5-11-26-17/h1-12H,(H,22,25)(H,23,24).
What are the key properties of N-[2-[[(2-chlorophenyl)methylideneamino]carbamoyl]phenyl]thiophene-2-carboxamide?
N-[2-[[(2-chlorophenyl)methylideneamino]carbamoyl]phenyl]thiophene-2-carboxamide has a molecular weight of 383.86 g/mol, XLogP of 4.42, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(2-chlorophenyl)methylideneamino]carbamoyl]phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 1284890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).