N-[2-[[(4-ethoxyphenyl)methylideneamino]carbamoyl]phenyl]thiophene-2-carboxamide

C21H19N3O3S — CID 1284873

IUPACN-[2-[[(4-ethoxyphenyl)methylideneamino]carbamoyl]phenyl]thiophene-2-carboxamide
SMILESCCOc1ccc(C=NNC(=O)c2ccccc2NC(=O)c2cccs2)cc1
InChIInChI=1S/C21H19N3O3S/c1-2-27-16-11-9-15(10-12-16)14-22-24-20(25)17-6-3-4-7-18(17)23-21(26)19-8-5-13-28-19/h3-14H,2H2,1H3,(H,23,26)(H,24,25)
InChIKeyAWQZYCXKXHTEAY-UHFFFAOYSA-N
MW393.47 g/mol
LogP4.16
Rot. Bonds7

About N-[2-[[(4-ethoxyphenyl)methylideneamino]carbamoyl]phenyl]thiophene-2-carboxamide

N-[2-[[(4-ethoxyphenyl)methylideneamino]carbamoyl]phenyl]thiophene-2-carboxamide (PubChem CID 1284873) has the molecular formula C21H19N3O3S and a molecular weight of 393.47 g/mol. Its IUPAC name is N-[2-[[(4-ethoxyphenyl)methylideneamino]carbamoyl]phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[[(4-ethoxyphenyl)methylideneamino]carbamoyl]phenyl]thiophene-2-carboxamide
PubChem CID1284873
Molecular FormulaC21H19N3O3S
Molecular Weight393.47 g/mol
Exact Mass393.11
IUPAC NameN-[2-[[(4-ethoxyphenyl)methylideneamino]carbamoyl]phenyl]thiophene-2-carboxamide
SMILESCCOc1ccc(C=NNC(=O)c2ccccc2NC(=O)c2cccs2)cc1
InChIInChI=1S/C21H19N3O3S/c1-2-27-16-11-9-15(10-12-16)14-22-24-20(25)17-6-3-4-7-18(17)23-21(26)19-8-5-13-28-19/h3-14H,2H2,1H3,(H,23,26)(H,24,25)
InChIKeyAWQZYCXKXHTEAY-UHFFFAOYSA-N
XLogP4.16
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.47
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-[[(4-methylsulfanylphenyl)methylideneamino]carbamoyl]phenyl]thiophene-2-carboxamide
CID 1284880
N-[2-[[(Z)-[4-[(3,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]carbamoyl]phenyl]thiophene-2-carboxamide
CID 126162166
N-[2-[[(Z)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]carbamoyl]phenyl]thiophene-2-carboxamide
CID 94831805
N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]thiophene-2-carboxamide
CID 5402013
N-[2-[[[4-(2,4-dinitrophenoxy)-3-ethoxyphenyl]methylideneamino]carbamoyl]phenyl]thiophene-2-carboxamide
CID 4278661
[2,6-dimethoxy-4-[[[2-(thiophene-2-carbonylamino)benzoyl]hydrazinylidene]methyl]phenyl] acetate
CID 6737056
N-[2-[[(Z)-(2,6-dichlorophenyl)methylideneamino]carbamoyl]phenyl]thiophene-2-carboxamide
CID 94844709
N-[2-[[(2-chlorophenyl)methylideneamino]carbamoyl]phenyl]thiophene-2-carboxamide
CID 1284890
N-[(4-ethoxyphenyl)methylideneamino]-2-propoxybenzamide
CID 4931427
N'-[(4-butoxyphenyl)methylideneamino]-N-[2-[(4-ethoxyphenyl)carbamoyl]phenyl]oxamide
CID 3631981
N'-[(4-chlorophenyl)methylideneamino]-N-[2-[(4-ethoxyphenyl)carbamoyl]phenyl]oxamide
CID 5239737
2-[(4-methoxybenzoyl)amino]-N-[(4-methoxyphenyl)methylideneamino]benzamide
CID 4614561

Frequently Asked Questions

What is the IUPAC name of N-[2-[[(4-ethoxyphenyl)methylideneamino]carbamoyl]phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-[[(4-ethoxyphenyl)methylideneamino]carbamoyl]phenyl]thiophene-2-carboxamide (CID 1284873) is N-[2-[[(4-ethoxyphenyl)methylideneamino]carbamoyl]phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-[[(4-ethoxyphenyl)methylideneamino]carbamoyl]phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-[[(4-ethoxyphenyl)methylideneamino]carbamoyl]phenyl]thiophene-2-carboxamide is CCOc1ccc(C=NNC(=O)c2ccccc2NC(=O)c2cccs2)cc1.
What is the InChIKey of N-[2-[[(4-ethoxyphenyl)methylideneamino]carbamoyl]phenyl]thiophene-2-carboxamide?
The InChIKey is AWQZYCXKXHTEAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O3S/c1-2-27-16-11-9-15(10-12-16)14-22-24-20(25)17-6-3-4-7-18(17)23-21(26)19-8-5-13-28-19/h3-14H,2H2,1H3,(H,23,26)(H,24,25).
What are the key properties of N-[2-[[(4-ethoxyphenyl)methylideneamino]carbamoyl]phenyl]thiophene-2-carboxamide?
N-[2-[[(4-ethoxyphenyl)methylideneamino]carbamoyl]phenyl]thiophene-2-carboxamide has a molecular weight of 393.47 g/mol, XLogP of 4.16, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(4-ethoxyphenyl)methylideneamino]carbamoyl]phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 1284873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).