2,4-dimethoxy-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-N-pentylbenzamide

C19H25N3O4S — CID 4151032

IUPAC2,4-dimethoxy-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-N-pentylbenzamide
SMILESCCCCCN(CC(=O)Nc1nccs1)C(=O)c1ccc(OC)cc1OC
InChIInChI=1S/C19H25N3O4S/c1-4-5-6-10-22(13-17(23)21-19-20-9-11-27-19)18(24)15-8-7-14(25-2)12-16(15)26-3/h7-9,11-12H,4-6,10,13H2,1-3H3,(H,20,21,23)
InChIKeySHHIHQILOBADNT-UHFFFAOYSA-N
MW391.49 g/mol
LogP3.43
Rot. Bonds10

About 2,4-dimethoxy-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-N-pentylbenzamide

2,4-dimethoxy-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-N-pentylbenzamide (PubChem CID 4151032) has the molecular formula C19H25N3O4S and a molecular weight of 391.49 g/mol. Its IUPAC name is 2,4-dimethoxy-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-N-pentylbenzamide.

Molecular Properties

Compound Name2,4-dimethoxy-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-N-pentylbenzamide
PubChem CID4151032
Molecular FormulaC19H25N3O4S
Molecular Weight391.49 g/mol
Exact Mass391.16
IUPAC Name2,4-dimethoxy-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-N-pentylbenzamide
SMILESCCCCCN(CC(=O)Nc1nccs1)C(=O)c1ccc(OC)cc1OC
InChIInChI=1S/C19H25N3O4S/c1-4-5-6-10-22(13-17(23)21-19-20-9-11-27-19)18(24)15-8-7-14(25-2)12-16(15)26-3/h7-9,11-12H,4-6,10,13H2,1-3H3,(H,20,21,23)
InChIKeySHHIHQILOBADNT-UHFFFAOYSA-N
XLogP3.43
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.49
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2,4-dimethoxy-N-(3-methylbutyl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]benzamide
CID 3559563
2,4-dimethoxy-N,N-dioctylbenzamide
CID 139819875
N-ethyl-2-methoxy-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]benzamide
CID 814268
N-hexyl-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]thiophene-2-carboxamide
CID 5046659
3,5-dimethoxy-N-(3-methoxypropyl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]benzamide
CID 5215660
N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-N-pentyldecanamide
CID 42664145
ethyl 4-oxo-4-[[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-pentylamino]butanoate
CID 3700860
N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-2,4-dimethoxy-N-(2-methoxyethyl)benzamide
CID 3426870
N-ethyl-2-(4-methoxyphenyl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]acetamide
CID 814252
N-hexyl-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-2-thiophen-2-ylacetamide
CID 5085333
2,4-dimethoxy-N-(1,3-thiazol-2-ylmethyl)benzamide
CID 55735719
N-(3-ethoxypropyl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]octanamide
CID 5169244

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethoxy-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-N-pentylbenzamide?
The IUPAC name of 2,4-dimethoxy-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-N-pentylbenzamide (CID 4151032) is 2,4-dimethoxy-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-N-pentylbenzamide.
What is the SMILES notation for 2,4-dimethoxy-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-N-pentylbenzamide?
The canonical SMILES for 2,4-dimethoxy-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-N-pentylbenzamide is CCCCCN(CC(=O)Nc1nccs1)C(=O)c1ccc(OC)cc1OC.
What is the InChIKey of 2,4-dimethoxy-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-N-pentylbenzamide?
The InChIKey is SHHIHQILOBADNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O4S/c1-4-5-6-10-22(13-17(23)21-19-20-9-11-27-19)18(24)15-8-7-14(25-2)12-16(15)26-3/h7-9,11-12H,4-6,10,13H2,1-3H3,(H,20,21,23).
What are the key properties of 2,4-dimethoxy-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-N-pentylbenzamide?
2,4-dimethoxy-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-N-pentylbenzamide has a molecular weight of 391.49 g/mol, XLogP of 3.43, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethoxy-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-N-pentylbenzamide is sourced from PubChem (CID 4151032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).