N-hexyl-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-2-thiophen-2-ylacetamide

C17H23N3O2S2 — CID 5085333

IUPACN-hexyl-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-2-thiophen-2-ylacetamide
SMILESCCCCCCN(CC(=O)Nc1nccs1)C(=O)Cc1cccs1
InChIInChI=1S/C17H23N3O2S2/c1-2-3-4-5-9-20(16(22)12-14-7-6-10-23-14)13-15(21)19-17-18-8-11-24-17/h6-8,10-11H,2-5,9,12-13H2,1H3,(H,18,19,21)
InChIKeyCOAQVFOGXSKCHW-UHFFFAOYSA-N
MW365.52 g/mol
LogP3.79
Rot. Bonds10

About N-hexyl-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-2-thiophen-2-ylacetamide

N-hexyl-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-2-thiophen-2-ylacetamide (PubChem CID 5085333) has the molecular formula C17H23N3O2S2 and a molecular weight of 365.52 g/mol. Its IUPAC name is N-hexyl-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-hexyl-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-2-thiophen-2-ylacetamide
PubChem CID5085333
Molecular FormulaC17H23N3O2S2
Molecular Weight365.52 g/mol
Exact Mass365.12
IUPAC NameN-hexyl-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-2-thiophen-2-ylacetamide
SMILESCCCCCCN(CC(=O)Nc1nccs1)C(=O)Cc1cccs1
InChIInChI=1S/C17H23N3O2S2/c1-2-3-4-5-9-20(16(22)12-14-7-6-10-23-14)13-15(21)19-17-18-8-11-24-17/h6-8,10-11H,2-5,9,12-13H2,1H3,(H,18,19,21)
InChIKeyCOAQVFOGXSKCHW-UHFFFAOYSA-N
XLogP3.79
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.52
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-N-pentyldecanamide
CID 42664145
N-hexyl-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]thiophene-2-carboxamide
CID 5046659
ethyl 4-oxo-4-[[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-pentylamino]butanoate
CID 3700860
N-[2-(dimethylamino)ethyl]-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]tetradecanamide
CID 3557830
N-(3-ethoxypropyl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]octanamide
CID 5169244
3-[hexyl-(2-thiophen-2-ylacetyl)amino]propanoic acid
CID 82325058
N-(2-morpholin-4-ylethyl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]nonanamide
CID 4068648
2-[benzenesulfonyl(pentyl)amino]-N-(1,3-thiazol-2-yl)acetamide
CID 4087394
N-ethyl-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]thiophene-2-carboxamide
CID 814245
N-[2-(dimethylamino)ethyl]-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-2-thiophen-2-ylacetamide
CID 42769939
N-(3-methoxypropyl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]thiophene-2-carboxamide
CID 4108317
2,4-dimethoxy-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-N-pentylbenzamide
CID 4151032

Frequently Asked Questions

What is the IUPAC name of N-hexyl-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-hexyl-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-2-thiophen-2-ylacetamide (CID 5085333) is N-hexyl-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-hexyl-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-hexyl-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-2-thiophen-2-ylacetamide is CCCCCCN(CC(=O)Nc1nccs1)C(=O)Cc1cccs1.
What is the InChIKey of N-hexyl-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-2-thiophen-2-ylacetamide?
The InChIKey is COAQVFOGXSKCHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2S2/c1-2-3-4-5-9-20(16(22)12-14-7-6-10-23-14)13-15(21)19-17-18-8-11-24-17/h6-8,10-11H,2-5,9,12-13H2,1H3,(H,18,19,21).
What are the key properties of N-hexyl-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-2-thiophen-2-ylacetamide?
N-hexyl-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-2-thiophen-2-ylacetamide has a molecular weight of 365.52 g/mol, XLogP of 3.79, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexyl-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 5085333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).