2-(2-chlorophenoxy)-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide

C12H14ClNO4S — CID 6601206

IUPAC2-(2-chlorophenoxy)-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide
SMILESO=C(COc1ccccc1Cl)N[C@H]1CCS(=O)(=O)C1
InChIInChI=1S/C12H14ClNO4S/c13-10-3-1-2-4-11(10)18-7-12(15)14-9-5-6-19(16,17)8-9/h1-4,9H,5-8H2,(H,14,15)/t9-/m0/s1
InChIKeyBVAGZEPINDCNKV-VIFPVBQESA-N
MW303.77 g/mol
LogP1.02
Rot. Bonds4

About 2-(2-chlorophenoxy)-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide

2-(2-chlorophenoxy)-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide (PubChem CID 6601206) has the molecular formula C12H14ClNO4S and a molecular weight of 303.77 g/mol. Its IUPAC name is 2-(2-chlorophenoxy)-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide.

Molecular Properties

Compound Name2-(2-chlorophenoxy)-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide
PubChem CID6601206
Molecular FormulaC12H14ClNO4S
Molecular Weight303.77 g/mol
Exact Mass303.03
IUPAC Name2-(2-chlorophenoxy)-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide
SMILESO=C(COc1ccccc1Cl)N[C@H]1CCS(=O)(=O)C1
InChIInChI=1S/C12H14ClNO4S/c13-10-3-1-2-4-11(10)18-7-12(15)14-9-5-6-19(16,17)8-9/h1-4,9H,5-8H2,(H,14,15)/t9-/m0/s1
InChIKeyBVAGZEPINDCNKV-VIFPVBQESA-N
XLogP1.02
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.77
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-chlorophenoxy)-N-[(3S)-1,1-dioxothiolan-3-yl]propanamide
CID 51726457
2-(2,4-dichlorophenoxy)-N-(1,1-dioxothiolan-3-yl)acetamide
CID 2853637
2-(2-chloro-4-phenylphenoxy)-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide
CID 7949295
2-[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethoxy]benzoic acid
CID 43214296
2-(2-bromo-4-chlorophenoxy)-N-(1,1-dioxothiolan-3-yl)acetamide
CID 3939341
2-(2-chlorophenoxy)-N-[[(3S)-1,1-dioxothiolan-3-yl]methyl]acetamide
CID 94006290
2-[2-[(3,4-dichlorophenyl)sulfonylamino]phenoxy]-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide
CID 52909970
2-(3-chlorophenoxy)-N-(1,1-dioxothiolan-3-yl)acetamide
CID 4805342
2-(2-chlorophenoxy)-N-piperidin-4-ylacetamide;hydrochloride
CID 119388216
[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl] 2-naphthalen-1-yloxyacetate
CID 3461875
2-(2,5-dimethylphenoxy)-N-(1,1-dioxothiolan-3-yl)acetamide
CID 16544779
2-(2-chlorophenoxy)-N-(1,1-dioxothiolan-3-yl)propanamide
CID 46581771

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenoxy)-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide?
The IUPAC name of 2-(2-chlorophenoxy)-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide (CID 6601206) is 2-(2-chlorophenoxy)-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide.
What is the SMILES notation for 2-(2-chlorophenoxy)-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide?
The canonical SMILES for 2-(2-chlorophenoxy)-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide is O=C(COc1ccccc1Cl)N[C@H]1CCS(=O)(=O)C1.
What is the InChIKey of 2-(2-chlorophenoxy)-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide?
The InChIKey is BVAGZEPINDCNKV-VIFPVBQESA-N. The full InChI is InChI=1S/C12H14ClNO4S/c13-10-3-1-2-4-11(10)18-7-12(15)14-9-5-6-19(16,17)8-9/h1-4,9H,5-8H2,(H,14,15)/t9-/m0/s1.
What are the key properties of 2-(2-chlorophenoxy)-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide?
2-(2-chlorophenoxy)-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide has a molecular weight of 303.77 g/mol, XLogP of 1.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenoxy)-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide is sourced from PubChem (CID 6601206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).