(5-acetyl-2-methoxyphenyl)methyl 2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]acetate

C17H20N2O7S — CID 8737041

IUPAC(5-acetyl-2-methoxyphenyl)methyl 2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]acetate
SMILESCOc1ccc(C(C)=O)cc1COC(=O)CNS(=O)(=O)c1c(C)noc1C
InChIInChI=1S/C17H20N2O7S/c1-10-17(12(3)26-19-10)27(22,23)18-8-16(21)25-9-14-7-13(11(2)20)5-6-15(14)24-4/h5-7,18H,8-9H2,1-4H3
InChIKeyCAQHDXDEVCDCMR-UHFFFAOYSA-N
MW396.42 g/mol
LogP1.52
Rot. Bonds8

About (5-acetyl-2-methoxyphenyl)methyl 2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]acetate

(5-acetyl-2-methoxyphenyl)methyl 2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]acetate (PubChem CID 8737041) has the molecular formula C17H20N2O7S and a molecular weight of 396.42 g/mol. Its IUPAC name is (5-acetyl-2-methoxyphenyl)methyl 2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]acetate.

Molecular Properties

Compound Name(5-acetyl-2-methoxyphenyl)methyl 2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]acetate
PubChem CID8737041
Molecular FormulaC17H20N2O7S
Molecular Weight396.42 g/mol
Exact Mass396.10
IUPAC Name(5-acetyl-2-methoxyphenyl)methyl 2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]acetate
SMILESCOc1ccc(C(C)=O)cc1COC(=O)CNS(=O)(=O)c1c(C)noc1C
InChIInChI=1S/C17H20N2O7S/c1-10-17(12(3)26-19-10)27(22,23)18-8-16(21)25-9-14-7-13(11(2)20)5-6-15(14)24-4/h5-7,18H,8-9H2,1-4H3
InChIKeyCAQHDXDEVCDCMR-UHFFFAOYSA-N
XLogP1.52
TPSA124.80 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.42
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

(2,3-difluorophenyl)methyl 2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]acetate
CID 40767791
N-[(2-methoxy-5-methylphenyl)methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 35606688
N-(3-acetylphenyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]acetamide
CID 110295792
3,5-dimethyl-N-(2-oxopropyl)-1,2-oxazole-4-sulfonamide
CID 64994317
(5-acetyl-2-methoxyphenyl)methyl 3-[(3,4-dimethylphenyl)sulfonylamino]propanoate
CID 24978644
ethyl 4-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]acetyl]oxybenzoate
CID 9455723
N-[(2-methoxyphenyl)methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 3238779
(5-acetyl-2-methoxyphenyl)methyl 3-(benzenesulfonamido)propanoate
CID 7909301
(5-acetyl-2-methoxyphenyl)methyl 3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanoate
CID 46671831
(5-acetyl-2-methoxyphenyl)methyl 2-[(4-fluorobenzoyl)amino]acetate
CID 2121117
methyl 4-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]acetyl]amino]benzoate
CID 110295798
2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-[4-(2-methoxyphenyl)butyl]acetamide
CID 110616077

Frequently Asked Questions

What is the IUPAC name of (5-acetyl-2-methoxyphenyl)methyl 2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]acetate?
The IUPAC name of (5-acetyl-2-methoxyphenyl)methyl 2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]acetate (CID 8737041) is (5-acetyl-2-methoxyphenyl)methyl 2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]acetate.
What is the SMILES notation for (5-acetyl-2-methoxyphenyl)methyl 2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]acetate?
The canonical SMILES for (5-acetyl-2-methoxyphenyl)methyl 2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]acetate is COc1ccc(C(C)=O)cc1COC(=O)CNS(=O)(=O)c1c(C)noc1C.
What is the InChIKey of (5-acetyl-2-methoxyphenyl)methyl 2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]acetate?
The InChIKey is CAQHDXDEVCDCMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O7S/c1-10-17(12(3)26-19-10)27(22,23)18-8-16(21)25-9-14-7-13(11(2)20)5-6-15(14)24-4/h5-7,18H,8-9H2,1-4H3.
What are the key properties of (5-acetyl-2-methoxyphenyl)methyl 2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]acetate?
(5-acetyl-2-methoxyphenyl)methyl 2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]acetate has a molecular weight of 396.42 g/mol, XLogP of 1.52, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (5-acetyl-2-methoxyphenyl)methyl 2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]acetate is sourced from PubChem (CID 8737041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).