N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethyl-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide

C16H19N3O5S — CID 7908193

IUPACN-[(3S)-1,1-dioxothiolan-3-yl]-N-ethyl-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide
SMILESCCN(C(=O)COc1ccc(-c2nnco2)cc1)[C@H]1CCS(=O)(=O)C1
InChIInChI=1S/C16H19N3O5S/c1-2-19(13-7-8-25(21,22)10-13)15(20)9-23-14-5-3-12(4-6-14)16-18-17-11-24-16/h3-6,11,13H,2,7-10H2,1H3/t13-/m0/s1
InChIKeyVVEWJXHBUSECBK-ZDUSSCGKSA-N
MW365.41 g/mol
LogP1.15
Rot. Bonds6

About N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethyl-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide

N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethyl-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide (PubChem CID 7908193) has the molecular formula C16H19N3O5S and a molecular weight of 365.41 g/mol. Its IUPAC name is N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethyl-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide.

Molecular Properties

Compound NameN-[(3S)-1,1-dioxothiolan-3-yl]-N-ethyl-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide
PubChem CID7908193
Molecular FormulaC16H19N3O5S
Molecular Weight365.41 g/mol
Exact Mass365.10
IUPAC NameN-[(3S)-1,1-dioxothiolan-3-yl]-N-ethyl-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide
SMILESCCN(C(=O)COc1ccc(-c2nnco2)cc1)[C@H]1CCS(=O)(=O)C1
InChIInChI=1S/C16H19N3O5S/c1-2-19(13-7-8-25(21,22)10-13)15(20)9-23-14-5-3-12(4-6-14)16-18-17-11-24-16/h3-6,11,13H,2,7-10H2,1H3/t13-/m0/s1
InChIKeyVVEWJXHBUSECBK-ZDUSSCGKSA-N
XLogP1.15
TPSA102.60 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.41
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethyl-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide with MolForge

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Related Compounds

2-(4-cyanophenoxy)-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide
CID 16540663
N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethyl-2-[3-(tetrazol-1-yl)phenoxy]acetamide
CID 8008408
N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[[2-(4-methylphenoxy)acetyl]amino]acetamide
CID 112994276
N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-quinolin-6-yloxyacetamide
CID 112978632
2-(4-acetylphenoxy)-N-(1,1-dioxothiolan-3-yl)-N-propylacetamide
CID 55327740
2-[2-[[(3R)-1,1-dioxothiolan-3-yl]-ethylamino]-2-oxoethoxy]-4-methylbenzoic acid
CID 51515598
N-[(3R)-1,1-dioxothiolan-3-yl]-2-(4-methoxyphenoxy)-N-[(4-methoxyphenyl)methyl]acetamide
CID 7986144
N-butyl-N-(1,1-dioxothiolan-3-yl)-2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]acetamide
CID 55390910
N-benzyl-N-(1,1-dioxothiolan-3-yl)-2-(4-methylphenoxy)acetamide
CID 4653805
N-cyclopentyl-N-[(3R)-1,1-dioxothiolan-3-yl]-2-(4-ethoxyphenoxy)acetamide
CID 36547223
N-cyclopentyl-N-[(3S)-1,1-dioxothiolan-3-yl]-2-(4-ethoxyphenoxy)acetamide
CID 36547224
N-(1,1-dioxothiolan-3-yl)-N-[(4-ethylphenyl)methyl]-2-(4-methoxyphenoxy)acetamide
CID 3355244

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethyl-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide?
The IUPAC name of N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethyl-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide (CID 7908193) is N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethyl-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide.
What is the SMILES notation for N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethyl-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide?
The canonical SMILES for N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethyl-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide is CCN(C(=O)COc1ccc(-c2nnco2)cc1)[C@H]1CCS(=O)(=O)C1.
What is the InChIKey of N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethyl-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide?
The InChIKey is VVEWJXHBUSECBK-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H19N3O5S/c1-2-19(13-7-8-25(21,22)10-13)15(20)9-23-14-5-3-12(4-6-14)16-18-17-11-24-16/h3-6,11,13H,2,7-10H2,1H3/t13-/m0/s1.
What are the key properties of N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethyl-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide?
N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethyl-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide has a molecular weight of 365.41 g/mol, XLogP of 1.15, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethyl-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide is sourced from PubChem (CID 7908193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).