N-[1-(oxolan-2-yl)ethyl]-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide

C15H18N2O5S — CID 51079408

IUPACN-[1-(oxolan-2-yl)ethyl]-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide
SMILESCC(NC(=O)CN1C(=O)c2ccccc2S1(=O)=O)C1CCCO1
InChIInChI=1S/C15H18N2O5S/c1-10(12-6-4-8-22-12)16-14(18)9-17-15(19)11-5-2-3-7-13(11)23(17,20)21/h2-3,5,7,10,12H,4,6,8-9H2,1H3,(H,16,18)
InChIKeyVMJUYLCYKLEDGN-UHFFFAOYSA-N
MW338.38 g/mol
LogP0.51
Rot. Bonds4

About N-[1-(oxolan-2-yl)ethyl]-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide

N-[1-(oxolan-2-yl)ethyl]-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide (PubChem CID 51079408) has the molecular formula C15H18N2O5S and a molecular weight of 338.38 g/mol. Its IUPAC name is N-[1-(oxolan-2-yl)ethyl]-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide.

Molecular Properties

Compound NameN-[1-(oxolan-2-yl)ethyl]-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide
PubChem CID51079408
Molecular FormulaC15H18N2O5S
Molecular Weight338.38 g/mol
Exact Mass338.09
IUPAC NameN-[1-(oxolan-2-yl)ethyl]-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide
SMILESCC(NC(=O)CN1C(=O)c2ccccc2S1(=O)=O)C1CCCO1
InChIInChI=1S/C15H18N2O5S/c1-10(12-6-4-8-22-12)16-14(18)9-17-15(19)11-5-2-3-7-13(11)23(17,20)21/h2-3,5,7,10,12H,4,6,8-9H2,1H3,(H,16,18)
InChIKeyVMJUYLCYKLEDGN-UHFFFAOYSA-N
XLogP0.51
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.38
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1R)-1-cyclopropylethyl]-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide
CID 9290775
N-[(1S)-2,2,2-trichloro-1-(cyclopentylamino)ethyl]-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide
CID 1192101
2-[(1,1-dioxo-1,2-benzothiazol-3-ylidene)amino]-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]acetamide
CID 135912779
2-[(1,1-dioxo-1,2-benzothiazol-3-ylidene)amino]-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]acetamide
CID 135912778
oxolan-2-ylmethyl 2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetate
CID 16619890
N-(oxolan-2-ylmethyl)-2-[[2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetyl]amino]benzamide
CID 3163337
3-methyl-2-[[2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetyl]amino]pentanoic acid
CID 4905307
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]acetamide
CID 95158173
N-[(1R)-1-(4-ethylphenyl)ethyl]-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide
CID 40701171
2-(5-bromo-2-oxo-1-pyridinyl)-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]acetamide
CID 35266239
N-[1-(oxolan-2-yl)ethyl]-3-(2-oxo-1-pyridinyl)propanamide
CID 86979664
methyl (2R)-4-methyl-2-[[2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetyl]amino]pentanoate
CID 9290754

Frequently Asked Questions

What is the IUPAC name of N-[1-(oxolan-2-yl)ethyl]-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide?
The IUPAC name of N-[1-(oxolan-2-yl)ethyl]-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide (CID 51079408) is N-[1-(oxolan-2-yl)ethyl]-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide.
What is the SMILES notation for N-[1-(oxolan-2-yl)ethyl]-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide?
The canonical SMILES for N-[1-(oxolan-2-yl)ethyl]-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide is CC(NC(=O)CN1C(=O)c2ccccc2S1(=O)=O)C1CCCO1.
What is the InChIKey of N-[1-(oxolan-2-yl)ethyl]-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide?
The InChIKey is VMJUYLCYKLEDGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O5S/c1-10(12-6-4-8-22-12)16-14(18)9-17-15(19)11-5-2-3-7-13(11)23(17,20)21/h2-3,5,7,10,12H,4,6,8-9H2,1H3,(H,16,18).
What are the key properties of N-[1-(oxolan-2-yl)ethyl]-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide?
N-[1-(oxolan-2-yl)ethyl]-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide has a molecular weight of 338.38 g/mol, XLogP of 0.51, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(oxolan-2-yl)ethyl]-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide is sourced from PubChem (CID 51079408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).