N-[(3S)-1,1-dioxothiolan-3-yl]-2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide

C17H20N2O4S2 — CID 51929410

IUPACN-[(3S)-1,1-dioxothiolan-3-yl]-2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide
SMILESCCOc1ccccc1-c1nc(CC(=O)N[C@H]2CCS(=O)(=O)C2)cs1
InChIInChI=1S/C17H20N2O4S2/c1-2-23-15-6-4-3-5-14(15)17-19-13(10-24-17)9-16(20)18-12-7-8-25(21,22)11-12/h3-6,10,12H,2,7-9,11H2,1H3,(H,18,20)/t12-/m0/s1
InChIKeyYKAYUKLOBKPMHW-LBPRGKRZSA-N
MW380.49 g/mol
LogP2.05
Rot. Bonds6

About N-[(3S)-1,1-dioxothiolan-3-yl]-2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide

N-[(3S)-1,1-dioxothiolan-3-yl]-2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide (PubChem CID 51929410) has the molecular formula C17H20N2O4S2 and a molecular weight of 380.49 g/mol. Its IUPAC name is N-[(3S)-1,1-dioxothiolan-3-yl]-2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide.

Molecular Properties

Compound NameN-[(3S)-1,1-dioxothiolan-3-yl]-2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide
PubChem CID51929410
Molecular FormulaC17H20N2O4S2
Molecular Weight380.49 g/mol
Exact Mass380.09
IUPAC NameN-[(3S)-1,1-dioxothiolan-3-yl]-2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide
SMILESCCOc1ccccc1-c1nc(CC(=O)N[C@H]2CCS(=O)(=O)C2)cs1
InChIInChI=1S/C17H20N2O4S2/c1-2-23-15-6-4-3-5-14(15)17-19-13(10-24-17)9-16(20)18-12-7-8-25(21,22)11-12/h3-6,10,12H,2,7-9,11H2,1H3,(H,18,20)/t12-/m0/s1
InChIKeyYKAYUKLOBKPMHW-LBPRGKRZSA-N
XLogP2.05
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide
CID 55495130
N-(1,1-dioxothiolan-3-yl)-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
CID 46558909
2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-(3-methylbutan-2-yl)acetamide
CID 43039088
N-[(3R)-1,1-dioxothiolan-3-yl]-2-(2-pyrrol-1-yl-1,3-thiazol-4-yl)acetamide
CID 96564072
2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-(4-ethylphenyl)acetamide
CID 16591401
N-[2-(tert-butylamino)-2-oxoethyl]-2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide
CID 18137419
2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 16590476
2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-[1-(2-methoxyphenyl)ethyl]acetamide
CID 16596855
N-[4-[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
CID 22830480
N-(2-acetylphenyl)-2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide
CID 16592622
2-[(1,1-dioxothiolan-3-yl)amino]-N-(2-ethoxyphenyl)acetamide
CID 109001684
2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-(6-methylheptan-2-yl)acetamide
CID 55486396

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1,1-dioxothiolan-3-yl]-2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide?
The IUPAC name of N-[(3S)-1,1-dioxothiolan-3-yl]-2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide (CID 51929410) is N-[(3S)-1,1-dioxothiolan-3-yl]-2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide.
What is the SMILES notation for N-[(3S)-1,1-dioxothiolan-3-yl]-2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide?
The canonical SMILES for N-[(3S)-1,1-dioxothiolan-3-yl]-2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide is CCOc1ccccc1-c1nc(CC(=O)N[C@H]2CCS(=O)(=O)C2)cs1.
What is the InChIKey of N-[(3S)-1,1-dioxothiolan-3-yl]-2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide?
The InChIKey is YKAYUKLOBKPMHW-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H20N2O4S2/c1-2-23-15-6-4-3-5-14(15)17-19-13(10-24-17)9-16(20)18-12-7-8-25(21,22)11-12/h3-6,10,12H,2,7-9,11H2,1H3,(H,18,20)/t12-/m0/s1.
What are the key properties of N-[(3S)-1,1-dioxothiolan-3-yl]-2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide?
N-[(3S)-1,1-dioxothiolan-3-yl]-2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide has a molecular weight of 380.49 g/mol, XLogP of 2.05, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1,1-dioxothiolan-3-yl]-2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide is sourced from PubChem (CID 51929410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).