2-[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl]sulfanylacetic acid

C17H15NO5S — CID 2401504

IUPAC2-[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl]sulfanylacetic acid
SMILESCOc1cc2c(cc1NC(=O)CSCC(=O)O)oc1ccccc12
InChIInChI=1S/C17H15NO5S/c1-22-15-6-11-10-4-2-3-5-13(10)23-14(11)7-12(15)18-16(19)8-24-9-17(20)21/h2-7H,8-9H2,1H3,(H,18,19)(H,20,21)
InChIKeyAFTTXACKMMNELW-UHFFFAOYSA-N
MW345.38 g/mol
LogP3.35
Rot. Bonds6

About 2-[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl]sulfanylacetic acid

2-[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl]sulfanylacetic acid (PubChem CID 2401504) has the molecular formula C17H15NO5S and a molecular weight of 345.38 g/mol. Its IUPAC name is 2-[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl]sulfanylacetic acid.

Molecular Properties

Compound Name2-[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl]sulfanylacetic acid
PubChem CID2401504
Molecular FormulaC17H15NO5S
Molecular Weight345.38 g/mol
Exact Mass345.07
IUPAC Name2-[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl]sulfanylacetic acid
SMILESCOc1cc2c(cc1NC(=O)CSCC(=O)O)oc1ccccc12
InChIInChI=1S/C17H15NO5S/c1-22-15-6-11-10-4-2-3-5-13(10)23-14(11)7-12(15)18-16(19)8-24-9-17(20)21/h2-7H,8-9H2,1H3,(H,18,19)(H,20,21)
InChIKeyAFTTXACKMMNELW-UHFFFAOYSA-N
XLogP3.35
TPSA88.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.38
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(diethylamino)-2-oxoethyl]sulfanyl-N-(2-methoxydibenzofuran-3-yl)acetamide
CID 112768160
N-(2-methoxydibenzofuran-3-yl)-3,3-diphenylpropanamide
CID 2935191
N-(2-methoxydibenzofuran-3-yl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 4805129
N-(2-methoxydibenzofuran-3-yl)-2-piperidin-1-ylacetamide
CID 2697422
N-(2-methoxydibenzofuran-3-yl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 55488412
2-[[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl]-methylamino]-N-methylacetamide
CID 78826575
1-ethyl-3-(2-methoxydibenzofuran-3-yl)urea
CID 86976519
N-(2-methoxydibenzofuran-3-yl)-2-(4-methylpiperidin-1-yl)acetamide
CID 2419747
[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl]-[(1R)-1-phenylethyl]azanium
CID 2684318
[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl] 2-hydroxy-2-phenylacetate
CID 23911923
[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl] cyclopropanecarboxylate
CID 2510908
2-[(3aR,7aR)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-(2-methoxydibenzofuran-3-yl)acetamide
CID 7962349

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl]sulfanylacetic acid?
The IUPAC name of 2-[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl]sulfanylacetic acid (CID 2401504) is 2-[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl]sulfanylacetic acid.
What is the SMILES notation for 2-[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl]sulfanylacetic acid?
The canonical SMILES for 2-[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl]sulfanylacetic acid is COc1cc2c(cc1NC(=O)CSCC(=O)O)oc1ccccc12.
What is the InChIKey of 2-[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl]sulfanylacetic acid?
The InChIKey is AFTTXACKMMNELW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO5S/c1-22-15-6-11-10-4-2-3-5-13(10)23-14(11)7-12(15)18-16(19)8-24-9-17(20)21/h2-7H,8-9H2,1H3,(H,18,19)(H,20,21).
What are the key properties of 2-[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl]sulfanylacetic acid?
2-[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl]sulfanylacetic acid has a molecular weight of 345.38 g/mol, XLogP of 3.35, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl]sulfanylacetic acid is sourced from PubChem (CID 2401504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).