N-[2-[[(Z)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]carbamoyl]phenyl]thiophene-2-carboxamide

C27H23N3O4S — CID 94831805

IUPACN-[2-[[(Z)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]carbamoyl]phenyl]thiophene-2-carboxamide
SMILESCOc1cc(/C=N\NC(=O)c2ccccc2NC(=O)c2cccs2)ccc1OCc1ccccc1
InChIInChI=1S/C27H23N3O4S/c1-33-24-16-20(13-14-23(24)34-18-19-8-3-2-4-9-19)17-28-30-26(31)21-10-5-6-11-22(21)29-27(32)25-12-7-15-35-25/h2-17H,18H2,1H3,(H,29,32)(H,30,31)/b28-17-
InChIKeyROYGSYZIEQNNLC-QRQIAZFYSA-N
MW485.57 g/mol
LogP5.35
Rot. Bonds9

About N-[2-[[(Z)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]carbamoyl]phenyl]thiophene-2-carboxamide

N-[2-[[(Z)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]carbamoyl]phenyl]thiophene-2-carboxamide (PubChem CID 94831805) has the molecular formula C27H23N3O4S and a molecular weight of 485.57 g/mol. Its IUPAC name is N-[2-[[(Z)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]carbamoyl]phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[[(Z)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]carbamoyl]phenyl]thiophene-2-carboxamide
PubChem CID94831805
Molecular FormulaC27H23N3O4S
Molecular Weight485.57 g/mol
Exact Mass485.14
IUPAC NameN-[2-[[(Z)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]carbamoyl]phenyl]thiophene-2-carboxamide
SMILESCOc1cc(/C=N\NC(=O)c2ccccc2NC(=O)c2cccs2)ccc1OCc1ccccc1
InChIInChI=1S/C27H23N3O4S/c1-33-24-16-20(13-14-23(24)34-18-19-8-3-2-4-9-19)17-28-30-26(31)21-10-5-6-11-22(21)29-27(32)25-12-7-15-35-25/h2-17H,18H2,1H3,(H,29,32)(H,30,31)/b28-17-
InChIKeyROYGSYZIEQNNLC-QRQIAZFYSA-N
XLogP5.35
TPSA89.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.57
LogP ≤ 55.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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)-[4-[(3,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]carbamoyl]phenyl]thiophene-2-carboxamide
CID 126162166
2-hydroxy-N-[(Z)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]benzamide
CID 6291203
N-[(Z)-(3,5-dimethoxy-4-phenylmethoxyphenyl)methylideneamino]thiophene-2-carboxamide
CID 9392431
2-bromo-N-[(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]benzamide
CID 4167953
[2,6-dimethoxy-4-[[[2-(thiophene-2-carbonylamino)benzoyl]hydrazinylidene]methyl]phenyl] acetate
CID 6737056
2,5-dihydroxy-N-[(E)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]benzamide
CID 17126913
N-[2-[[(4-ethoxyphenyl)methylideneamino]carbamoyl]phenyl]thiophene-2-carboxamide
CID 1284873
3-hydroxy-N-[(E)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]naphthalene-2-carboxamide
CID 6906540
1-ethyl-N-[(Z)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]-2-oxopyridine-3-carboxamide
CID 110523247
N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-phenylmethoxybenzamide
CID 135678576
N-[2-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 55843532
N-[(E)-[4-[(4-tert-butylphenyl)methoxy]-3-methoxyphenyl]methylideneamino]-2-methoxybenzamide
CID 110505817

Frequently Asked Questions

What is the IUPAC name of N-[2-[[(Z)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]carbamoyl]phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-[[(Z)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]carbamoyl]phenyl]thiophene-2-carboxamide (CID 94831805) is N-[2-[[(Z)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]carbamoyl]phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-[[(Z)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]carbamoyl]phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-[[(Z)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]carbamoyl]phenyl]thiophene-2-carboxamide is COc1cc(/C=N\NC(=O)c2ccccc2NC(=O)c2cccs2)ccc1OCc1ccccc1.
What is the InChIKey of N-[2-[[(Z)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]carbamoyl]phenyl]thiophene-2-carboxamide?
The InChIKey is ROYGSYZIEQNNLC-QRQIAZFYSA-N. The full InChI is InChI=1S/C27H23N3O4S/c1-33-24-16-20(13-14-23(24)34-18-19-8-3-2-4-9-19)17-28-30-26(31)21-10-5-6-11-22(21)29-27(32)25-12-7-15-35-25/h2-17H,18H2,1H3,(H,29,32)(H,30,31)/b28-17-.
What are the key properties of N-[2-[[(Z)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]carbamoyl]phenyl]thiophene-2-carboxamide?
N-[2-[[(Z)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]carbamoyl]phenyl]thiophene-2-carboxamide has a molecular weight of 485.57 g/mol, XLogP of 5.35, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(Z)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]carbamoyl]phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 94831805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).