3,5-dimethoxy-N-(3-methoxypropyl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]benzamide

C18H23N3O5S — CID 5215660

IUPAC3,5-dimethoxy-N-(3-methoxypropyl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]benzamide
SMILESCOCCCN(CC(=O)Nc1nccs1)C(=O)c1cc(OC)cc(OC)c1
InChIInChI=1S/C18H23N3O5S/c1-24-7-4-6-21(12-16(22)20-18-19-5-8-27-18)17(23)13-9-14(25-2)11-15(10-13)26-3/h5,8-11H,4,6-7,12H2,1-3H3,(H,19,20,22)
InChIKeyLHIFWNUPRKCDFS-UHFFFAOYSA-N
MW393.47 g/mol
LogP2.28
Rot. Bonds10

About 3,5-dimethoxy-N-(3-methoxypropyl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]benzamide

3,5-dimethoxy-N-(3-methoxypropyl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]benzamide (PubChem CID 5215660) has the molecular formula C18H23N3O5S and a molecular weight of 393.47 g/mol. Its IUPAC name is 3,5-dimethoxy-N-(3-methoxypropyl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]benzamide.

Molecular Properties

Compound Name3,5-dimethoxy-N-(3-methoxypropyl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]benzamide
PubChem CID5215660
Molecular FormulaC18H23N3O5S
Molecular Weight393.47 g/mol
Exact Mass393.14
IUPAC Name3,5-dimethoxy-N-(3-methoxypropyl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]benzamide
SMILESCOCCCN(CC(=O)Nc1nccs1)C(=O)c1cc(OC)cc(OC)c1
InChIInChI=1S/C18H23N3O5S/c1-24-7-4-6-21(12-16(22)20-18-19-5-8-27-18)17(23)13-9-14(25-2)11-15(10-13)26-3/h5,8-11H,4,6-7,12H2,1-3H3,(H,19,20,22)
InChIKeyLHIFWNUPRKCDFS-UHFFFAOYSA-N
XLogP2.28
TPSA89.99 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.47
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-methoxypropyl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]thiophene-2-carboxamide
CID 4108317
2-[dimethylcarbamoyl(2-methoxyethyl)amino]-N-(1,3-thiazol-2-yl)acetamide
CID 3528665
2,4-dimethoxy-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-N-pentylbenzamide
CID 4151032
N-(3-ethoxypropyl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]octanamide
CID 5169244
3-bromo-N-[3-(dimethylamino)propyl]-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]benzamide
CID 42771443
2,4-dimethoxy-N-(3-methylbutyl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]benzamide
CID 3559563
2-[2-methoxyethyl-(4-methoxyphenyl)sulfonylamino]-N-(1,3-thiazol-2-yl)acetamide
CID 4219105
N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-N-pentyldecanamide
CID 42664145
N-ethyl-2-(4-methoxyphenyl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]acetamide
CID 814252
3-cyclopentyl-N-(3-ethoxypropyl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]propanamide
CID 42771464
N-[2-[[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-3,5-dimethoxy-N-(3-methoxypropyl)benzamide
CID 5175166
ethyl 4-oxo-4-[[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-pentylamino]butanoate
CID 3700860

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethoxy-N-(3-methoxypropyl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]benzamide?
The IUPAC name of 3,5-dimethoxy-N-(3-methoxypropyl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]benzamide (CID 5215660) is 3,5-dimethoxy-N-(3-methoxypropyl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]benzamide.
What is the SMILES notation for 3,5-dimethoxy-N-(3-methoxypropyl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]benzamide?
The canonical SMILES for 3,5-dimethoxy-N-(3-methoxypropyl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]benzamide is COCCCN(CC(=O)Nc1nccs1)C(=O)c1cc(OC)cc(OC)c1.
What is the InChIKey of 3,5-dimethoxy-N-(3-methoxypropyl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]benzamide?
The InChIKey is LHIFWNUPRKCDFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O5S/c1-24-7-4-6-21(12-16(22)20-18-19-5-8-27-18)17(23)13-9-14(25-2)11-15(10-13)26-3/h5,8-11H,4,6-7,12H2,1-3H3,(H,19,20,22).
What are the key properties of 3,5-dimethoxy-N-(3-methoxypropyl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]benzamide?
3,5-dimethoxy-N-(3-methoxypropyl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]benzamide has a molecular weight of 393.47 g/mol, XLogP of 2.28, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethoxy-N-(3-methoxypropyl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]benzamide is sourced from PubChem (CID 5215660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).