N-(4-ethylphenyl)-2-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanylacetamide

C15H17N3O2S2 — CID 1412173

IUPACN-(4-ethylphenyl)-2-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanylacetamide
SMILESCCc1ccc(NC(=O)CSCC(=O)Nc2nccs2)cc1
InChIInChI=1S/C15H17N3O2S2/c1-2-11-3-5-12(6-4-11)17-13(19)9-21-10-14(20)18-15-16-7-8-22-15/h3-8H,2,9-10H2,1H3,(H,17,19)(H,16,18,20)
InChIKeyAXCWQGKHEACZKP-UHFFFAOYSA-N
MW335.45 g/mol
LogP3.02
Rot. Bonds7

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

N-(4-ethylphenyl)-2-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanylacetamide (PubChem CID 1412173) has the molecular formula C15H17N3O2S2 and a molecular weight of 335.45 g/mol. Its IUPAC name is N-(4-ethylphenyl)-2-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanylacetamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-2-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanylacetamide
PubChem CID1412173
Molecular FormulaC15H17N3O2S2
Molecular Weight335.45 g/mol
Exact Mass335.08
IUPAC NameN-(4-ethylphenyl)-2-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanylacetamide
SMILESCCc1ccc(NC(=O)CSCC(=O)Nc2nccs2)cc1
InChIInChI=1S/C15H17N3O2S2/c1-2-11-3-5-12(6-4-11)17-13(19)9-21-10-14(20)18-15-16-7-8-22-15/h3-8H,2,9-10H2,1H3,(H,17,19)(H,16,18,20)
InChIKeyAXCWQGKHEACZKP-UHFFFAOYSA-N
XLogP3.02
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[2-[(4-methylphenyl)methylsulfanyl]acetyl]amino]-N-(1,3-thiazol-2-yl)benzamide
CID 17361496
N-(4-methylphenyl)-2-[2-oxo-2-[4-(1,3-thiazol-2-yl)anilino]ethyl]sulfanylacetamide
CID 27701903
4-[[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanylmethyl]benzoic acid
CID 94804434
2-[2-[2-[(4-chlorophenyl)carbamothioyl]hydrazinyl]-2-oxoethyl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide
CID 25103983
N-(4-ethylphenyl)-2-thiophen-2-ylsulfanylacetamide
CID 23803925
4-[[2-[(3-methylphenyl)methylsulfanyl]acetyl]amino]-N-(1,3-thiazol-2-yl)benzamide
CID 17361497
4-oxo-4-[4-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanylanilino]butanoic acid
CID 22785097
2-(3-hydroxy-2-methylpropyl)sulfanyl-N-(1,3-thiazol-2-yl)acetamide
CID 66104229
2-(3-amino-2-methylpropyl)sulfanyl-N-(1,3-thiazol-2-yl)acetamide
CID 66224258
3-[[2-[2-(4-ethylanilino)-2-oxoethyl]sulfanylacetyl]amino]propanoic acid
CID 82033038
2-[2-[[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide
CID 3545136
2-[[4-(4-ethylphenyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
CID 43813067

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-2-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanylacetamide?
The IUPAC name of N-(4-ethylphenyl)-2-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanylacetamide (CID 1412173) is N-(4-ethylphenyl)-2-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanylacetamide.
What is the SMILES notation for N-(4-ethylphenyl)-2-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanylacetamide?
The canonical SMILES for N-(4-ethylphenyl)-2-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanylacetamide is CCc1ccc(NC(=O)CSCC(=O)Nc2nccs2)cc1.
What is the InChIKey of N-(4-ethylphenyl)-2-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanylacetamide?
The InChIKey is AXCWQGKHEACZKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2S2/c1-2-11-3-5-12(6-4-11)17-13(19)9-21-10-14(20)18-15-16-7-8-22-15/h3-8H,2,9-10H2,1H3,(H,17,19)(H,16,18,20).
What are the key properties of N-(4-ethylphenyl)-2-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanylacetamide?
N-(4-ethylphenyl)-2-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanylacetamide has a molecular weight of 335.45 g/mol, XLogP of 3.02, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-2-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanylacetamide is sourced from PubChem (CID 1412173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).