N-[(Z)-1-[4-methoxy-3-(morpholin-4-ium-4-ylmethyl)phenyl]ethylideneamino]thiophene-2-carboxamide

C19H24N3O3S+ — CID 9176517

IUPACN-[(Z)-1-[4-methoxy-3-(morpholin-4-ium-4-ylmethyl)phenyl]ethylideneamino]thiophene-2-carboxamide
SMILESCOc1ccc(/C(C)=N\NC(=O)c2cccs2)cc1C[NH+]1CCOCC1
InChIInChI=1S/C19H23N3O3S/c1-14(20-21-19(23)18-4-3-11-26-18)15-5-6-17(24-2)16(12-15)13-22-7-9-25-10-8-22/h3-6,11-12H,7-10,13H2,1-2H3,(H,21,23)/p+1/b20-14-
InChIKeyDYRJAWLQFJTAIV-ZHZULCJRSA-O
MW374.49 g/mol
LogP1.33
Rot. Bonds6

About N-[(Z)-1-[4-methoxy-3-(morpholin-4-ium-4-ylmethyl)phenyl]ethylideneamino]thiophene-2-carboxamide

N-[(Z)-1-[4-methoxy-3-(morpholin-4-ium-4-ylmethyl)phenyl]ethylideneamino]thiophene-2-carboxamide (PubChem CID 9176517) has the molecular formula C19H24N3O3S+ and a molecular weight of 374.49 g/mol. Its IUPAC name is N-[(Z)-1-[4-methoxy-3-(morpholin-4-ium-4-ylmethyl)phenyl]ethylideneamino]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(Z)-1-[4-methoxy-3-(morpholin-4-ium-4-ylmethyl)phenyl]ethylideneamino]thiophene-2-carboxamide
PubChem CID9176517
Molecular FormulaC19H24N3O3S+
Molecular Weight374.49 g/mol
Exact Mass374.15
IUPAC NameN-[(Z)-1-[4-methoxy-3-(morpholin-4-ium-4-ylmethyl)phenyl]ethylideneamino]thiophene-2-carboxamide
SMILESCOc1ccc(/C(C)=N\NC(=O)c2cccs2)cc1C[NH+]1CCOCC1
InChIInChI=1S/C19H23N3O3S/c1-14(20-21-19(23)18-4-3-11-26-18)15-5-6-17(24-2)16(12-15)13-22-7-9-25-10-8-22/h3-6,11-12H,7-10,13H2,1-2H3,(H,21,23)/p+1/b20-14-
InChIKeyDYRJAWLQFJTAIV-ZHZULCJRSA-O
XLogP1.33
TPSA64.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 51.33
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

[(Z)-1-[4-methoxy-3-(morpholin-4-ium-4-ylmethyl)phenyl]ethylideneamino]urea
CID 9017280
N-[(Z)-1-[4-methoxy-3-(morpholin-4-ium-4-ylmethyl)phenyl]ethylideneamino]pyridine-2-carboxamide
CID 9015637
N-[(Z)-1-(3,4-dimethoxyphenyl)ethylideneamino]thiophene-2-carboxamide
CID 5402037
diethyl-[[2-methoxy-5-[(Z)-C-methyl-N-(thiophene-2-carbonylamino)carbonimidoyl]phenyl]methyl]azanium
CID 9176511
N-[(Z)-1-[4-methoxy-3-(morpholin-4-ium-4-ylmethyl)phenyl]ethylideneamino]-2-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 9029766
N-(furan-2-ylmethyl)-N'-[(Z)-1-[4-methoxy-3-(morpholin-4-ium-4-ylmethyl)phenyl]ethylideneamino]oxamide
CID 9352942
3,4-dimethoxy-N-[(Z)-1-[4-methoxy-3-(pyrrolidin-1-ium-1-ylmethyl)phenyl]ethylideneamino]benzamide
CID 9232532
(Z)-1-[4-methoxy-3-(morpholin-4-ium-4-ylmethyl)phenyl]ethylidenehydrazine
CID 7441652
2-(2,5-dimethylphenoxy)-N-[(Z)-1-[4-methoxy-3-(morpholin-4-ium-4-ylmethyl)phenyl]ethylideneamino]acetamide
CID 9316017
N-[(Z)-1-[4-methoxy-3-(pyrrolidin-1-ium-1-ylmethyl)phenyl]ethylideneamino]-2-methylfuran-3-carboxamide
CID 9359533
N-[(Z)-1-(6-methoxynaphthalen-2-yl)ethylideneamino]thiophene-2-carboxamide
CID 6144551
N-[(Z)-1-[4-methoxy-3-(pyrrolidin-1-ium-1-ylmethyl)phenyl]ethylideneamino]-4-nitrobenzamide
CID 9014897

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-[4-methoxy-3-(morpholin-4-ium-4-ylmethyl)phenyl]ethylideneamino]thiophene-2-carboxamide?
The IUPAC name of N-[(Z)-1-[4-methoxy-3-(morpholin-4-ium-4-ylmethyl)phenyl]ethylideneamino]thiophene-2-carboxamide (CID 9176517) is N-[(Z)-1-[4-methoxy-3-(morpholin-4-ium-4-ylmethyl)phenyl]ethylideneamino]thiophene-2-carboxamide.
What is the SMILES notation for N-[(Z)-1-[4-methoxy-3-(morpholin-4-ium-4-ylmethyl)phenyl]ethylideneamino]thiophene-2-carboxamide?
The canonical SMILES for N-[(Z)-1-[4-methoxy-3-(morpholin-4-ium-4-ylmethyl)phenyl]ethylideneamino]thiophene-2-carboxamide is COc1ccc(/C(C)=N\NC(=O)c2cccs2)cc1C[NH+]1CCOCC1.
What is the InChIKey of N-[(Z)-1-[4-methoxy-3-(morpholin-4-ium-4-ylmethyl)phenyl]ethylideneamino]thiophene-2-carboxamide?
The InChIKey is DYRJAWLQFJTAIV-ZHZULCJRSA-O. The full InChI is InChI=1S/C19H23N3O3S/c1-14(20-21-19(23)18-4-3-11-26-18)15-5-6-17(24-2)16(12-15)13-22-7-9-25-10-8-22/h3-6,11-12H,7-10,13H2,1-2H3,(H,21,23)/p+1/b20-14-.
What are the key properties of N-[(Z)-1-[4-methoxy-3-(morpholin-4-ium-4-ylmethyl)phenyl]ethylideneamino]thiophene-2-carboxamide?
N-[(Z)-1-[4-methoxy-3-(morpholin-4-ium-4-ylmethyl)phenyl]ethylideneamino]thiophene-2-carboxamide has a molecular weight of 374.49 g/mol, XLogP of 1.33, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-[4-methoxy-3-(morpholin-4-ium-4-ylmethyl)phenyl]ethylideneamino]thiophene-2-carboxamide is sourced from PubChem (CID 9176517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).