N-[(Z)-[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methylideneamino]-2-(4-methyl-1,3-thiazol-2-yl)acetamide

C18H22N4O4S — CID 9029913

IUPACN-[(Z)-[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methylideneamino]-2-(4-methyl-1,3-thiazol-2-yl)acetamide
SMILESCCNC(=O)COc1ccc(/C=N\NC(=O)Cc2nc(C)cs2)cc1OC
InChIInChI=1S/C18H22N4O4S/c1-4-19-17(24)10-26-14-6-5-13(7-15(14)25-3)9-20-22-16(23)8-18-21-12(2)11-27-18/h5-7,9,11H,4,8,10H2,1-3H3,(H,19,24)(H,22,23)/b20-9-
InChIKeyRTSXXOHWVUDMBO-UKWGHVSLSA-N
MW390.47 g/mol
LogP1.67
Rot. Bonds9

About N-[(Z)-[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methylideneamino]-2-(4-methyl-1,3-thiazol-2-yl)acetamide

N-[(Z)-[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methylideneamino]-2-(4-methyl-1,3-thiazol-2-yl)acetamide (PubChem CID 9029913) has the molecular formula C18H22N4O4S and a molecular weight of 390.47 g/mol. Its IUPAC name is N-[(Z)-[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methylideneamino]-2-(4-methyl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound NameN-[(Z)-[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methylideneamino]-2-(4-methyl-1,3-thiazol-2-yl)acetamide
PubChem CID9029913
Molecular FormulaC18H22N4O4S
Molecular Weight390.47 g/mol
Exact Mass390.14
IUPAC NameN-[(Z)-[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methylideneamino]-2-(4-methyl-1,3-thiazol-2-yl)acetamide
SMILESCCNC(=O)COc1ccc(/C=N\NC(=O)Cc2nc(C)cs2)cc1OC
InChIInChI=1S/C18H22N4O4S/c1-4-19-17(24)10-26-14-6-5-13(7-15(14)25-3)9-20-22-16(23)8-18-21-12(2)11-27-18/h5-7,9,11H,4,8,10H2,1-3H3,(H,19,24)(H,22,23)/b20-9-
InChIKeyRTSXXOHWVUDMBO-UKWGHVSLSA-N
XLogP1.67
TPSA101.91 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.47
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

[2-methoxy-4-[(Z)-[[2-(4-methyl-1,3-thiazol-2-yl)acetyl]hydrazinylidene]methyl]phenyl] acetate
CID 9029686
methyl N-[(E)-[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methylideneamino]carbamate
CID 6910037
N-[(E)-[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methylideneamino]pyridine-4-carboxamide
CID 6909357
N-[(Z)-(3-chloro-5-ethoxy-4-methoxyphenyl)methylideneamino]-2-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 9029863
N-[(Z)-(5-bromo-2-methoxyphenyl)methylideneamino]-2-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 9029239
4-(diethylamino)-N-[(Z)-[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methylideneamino]benzamide
CID 7928987
N-ethyl-2-[2-methoxy-4-[(E)-[(4-propan-2-ylphenyl)carbamothioylhydrazinylidene]methyl]phenoxy]acetamide
CID 18292993
N-[(Z)-(3-chloro-5-methoxy-4-prop-2-ynoxyphenyl)methylideneamino]-2-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 9030054
N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide
CID 53483897
N,N'-bis[(Z)-(4-ethoxy-3-methoxyphenyl)methylideneamino]propanediamide
CID 6004946
N-[(E)-(4-ethoxy-3-methoxyphenyl)methylideneamino]-2-(2-methylphenoxy)acetamide
CID 19189977
2-(3,4-dimethoxyphenyl)-N-[(Z)-(4-ethoxy-3-methoxyphenyl)methylideneamino]acetamide
CID 7342212

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methylideneamino]-2-(4-methyl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of N-[(Z)-[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methylideneamino]-2-(4-methyl-1,3-thiazol-2-yl)acetamide (CID 9029913) is N-[(Z)-[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methylideneamino]-2-(4-methyl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for N-[(Z)-[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methylideneamino]-2-(4-methyl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for N-[(Z)-[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methylideneamino]-2-(4-methyl-1,3-thiazol-2-yl)acetamide is CCNC(=O)COc1ccc(/C=N\NC(=O)Cc2nc(C)cs2)cc1OC.
What is the InChIKey of N-[(Z)-[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methylideneamino]-2-(4-methyl-1,3-thiazol-2-yl)acetamide?
The InChIKey is RTSXXOHWVUDMBO-UKWGHVSLSA-N. The full InChI is InChI=1S/C18H22N4O4S/c1-4-19-17(24)10-26-14-6-5-13(7-15(14)25-3)9-20-22-16(23)8-18-21-12(2)11-27-18/h5-7,9,11H,4,8,10H2,1-3H3,(H,19,24)(H,22,23)/b20-9-.
What are the key properties of N-[(Z)-[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methylideneamino]-2-(4-methyl-1,3-thiazol-2-yl)acetamide?
N-[(Z)-[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methylideneamino]-2-(4-methyl-1,3-thiazol-2-yl)acetamide has a molecular weight of 390.47 g/mol, XLogP of 1.67, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methylideneamino]-2-(4-methyl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 9029913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).