2-(2-chloro-4-phenylphenoxy)-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide

C18H18ClNO4S — CID 7949295

IUPAC2-(2-chloro-4-phenylphenoxy)-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide
SMILESO=C(COc1ccc(-c2ccccc2)cc1Cl)N[C@H]1CCS(=O)(=O)C1
InChIInChI=1S/C18H18ClNO4S/c19-16-10-14(13-4-2-1-3-5-13)6-7-17(16)24-11-18(21)20-15-8-9-25(22,23)12-15/h1-7,10,15H,8-9,11-12H2,(H,20,21)/t15-/m0/s1
InChIKeyJMNVFZLTHMAPJQ-HNNXBMFYSA-N
MW379.87 g/mol
LogP2.69
Rot. Bonds5

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

2-(2-chloro-4-phenylphenoxy)-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide (PubChem CID 7949295) has the molecular formula C18H18ClNO4S and a molecular weight of 379.87 g/mol. Its IUPAC name is 2-(2-chloro-4-phenylphenoxy)-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide.

Molecular Properties

Compound Name2-(2-chloro-4-phenylphenoxy)-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide
PubChem CID7949295
Molecular FormulaC18H18ClNO4S
Molecular Weight379.87 g/mol
Exact Mass379.06
IUPAC Name2-(2-chloro-4-phenylphenoxy)-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide
SMILESO=C(COc1ccc(-c2ccccc2)cc1Cl)N[C@H]1CCS(=O)(=O)C1
InChIInChI=1S/C18H18ClNO4S/c19-16-10-14(13-4-2-1-3-5-13)6-7-17(16)24-11-18(21)20-15-8-9-25(22,23)12-15/h1-7,10,15H,8-9,11-12H2,(H,20,21)/t15-/m0/s1
InChIKeyJMNVFZLTHMAPJQ-HNNXBMFYSA-N
XLogP2.69
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.87
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-chlorophenoxy)-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide
CID 6601206
2-(2,4-dichlorophenoxy)-N-(1,1-dioxothiolan-3-yl)acetamide
CID 2853637
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(2-chloro-4-phenylphenoxy)acetamide;hydrochloride
CID 119456429
2-(2-bromo-4-chlorophenoxy)-N-(1,1-dioxothiolan-3-yl)acetamide
CID 3939341
2-[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethoxy]benzoic acid
CID 43214296
2-(2-chloro-4-phenylphenoxy)-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide
CID 42896247
[2-[[(3S)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl] 2-(4-phenylphenyl)acetate
CID 7703857
2-(2-bromo-4-methylphenoxy)-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide
CID 7949213
2-(3-chlorophenoxy)-N-(1,1-dioxothiolan-3-yl)acetamide
CID 4805342
3-(2-chlorophenoxy)-N-[(3S)-1,1-dioxothiolan-3-yl]propanamide
CID 51726457
2-(2-chloro-4-phenylphenoxy)-N-methylacetamide
CID 17466417
2-(2-chloro-4-phenylphenoxy)-N-[1-(cyclohexanecarbonyl)piperidin-4-yl]acetamide
CID 46454463

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-phenylphenoxy)-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide?
The IUPAC name of 2-(2-chloro-4-phenylphenoxy)-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide (CID 7949295) is 2-(2-chloro-4-phenylphenoxy)-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide.
What is the SMILES notation for 2-(2-chloro-4-phenylphenoxy)-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide?
The canonical SMILES for 2-(2-chloro-4-phenylphenoxy)-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide is O=C(COc1ccc(-c2ccccc2)cc1Cl)N[C@H]1CCS(=O)(=O)C1.
What is the InChIKey of 2-(2-chloro-4-phenylphenoxy)-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide?
The InChIKey is JMNVFZLTHMAPJQ-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H18ClNO4S/c19-16-10-14(13-4-2-1-3-5-13)6-7-17(16)24-11-18(21)20-15-8-9-25(22,23)12-15/h1-7,10,15H,8-9,11-12H2,(H,20,21)/t15-/m0/s1.
What are the key properties of 2-(2-chloro-4-phenylphenoxy)-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide?
2-(2-chloro-4-phenylphenoxy)-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide has a molecular weight of 379.87 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-phenylphenoxy)-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide is sourced from PubChem (CID 7949295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).