[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 2-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]sulfanylacetate

C19H27N3O6S — CID 7739268

IUPAC[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 2-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]sulfanylacetate
SMILESCN(C(=O)CSCC(=O)OCC(=O)NC(=O)NCc1ccco1)C1CCCCC1
InChIInChI=1S/C19H27N3O6S/c1-22(14-6-3-2-4-7-14)17(24)12-29-13-18(25)28-11-16(23)21-19(26)20-10-15-8-5-9-27-15/h5,8-9,14H,2-4,6-7,10-13H2,1H3,(H2,20,21,23,26)
InChIKeyBFIMECRIGXVEFX-UHFFFAOYSA-N
MW425.51 g/mol
LogP1.67
Rot. Bonds9

About [2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 2-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]sulfanylacetate

[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 2-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]sulfanylacetate (PubChem CID 7739268) has the molecular formula C19H27N3O6S and a molecular weight of 425.51 g/mol. Its IUPAC name is [2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 2-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]sulfanylacetate.

Molecular Properties

Compound Name[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 2-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]sulfanylacetate
PubChem CID7739268
Molecular FormulaC19H27N3O6S
Molecular Weight425.51 g/mol
Exact Mass425.16
IUPAC Name[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 2-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]sulfanylacetate
SMILESCN(C(=O)CSCC(=O)OCC(=O)NC(=O)NCc1ccco1)C1CCCCC1
InChIInChI=1S/C19H27N3O6S/c1-22(14-6-3-2-4-7-14)17(24)12-29-13-18(25)28-11-16(23)21-19(26)20-10-15-8-5-9-27-15/h5,8-9,14H,2-4,6-7,10-13H2,1H3,(H2,20,21,23,26)
InChIKeyBFIMECRIGXVEFX-UHFFFAOYSA-N
XLogP1.67
TPSA117.95 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.51
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] cyclopentanecarboxylate
CID 7717562
[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] (1R,5R)-9-oxobicyclo[3.3.1]nonane-3-carboxylate
CID 50937596
[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] (2S)-2-[(3aR,7aR)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]propanoate
CID 7572726
[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 2-(4-acetamidophenyl)sulfanylacetate
CID 2998047
[2-oxo-2-(2,4,6-trimethylanilino)ethyl] 2-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]sulfanylacetate
CID 7739332
[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 2-(4-methoxyphenoxy)acetate
CID 2590459
[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 3-(4-methylphenoxy)propanoate
CID 24686754
1-cyclohexyl-3-(furan-2-ylmethyl)-1-methylthiourea
CID 23883035
[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 1-cyclopropyl-2,5-dimethylpyrrole-3-carboxylate
CID 8672686
[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 2-(2-nitrophenyl)acetate
CID 7832941
ethyl 2-[[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl]-methylamino]acetate
CID 62011616
[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] furan-2-carboxylate
CID 2631632

Frequently Asked Questions

What is the IUPAC name of [2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 2-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]sulfanylacetate?
The IUPAC name of [2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 2-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]sulfanylacetate (CID 7739268) is [2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 2-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]sulfanylacetate.
What is the SMILES notation for [2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 2-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]sulfanylacetate?
The canonical SMILES for [2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 2-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]sulfanylacetate is CN(C(=O)CSCC(=O)OCC(=O)NC(=O)NCc1ccco1)C1CCCCC1.
What is the InChIKey of [2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 2-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]sulfanylacetate?
The InChIKey is BFIMECRIGXVEFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O6S/c1-22(14-6-3-2-4-7-14)17(24)12-29-13-18(25)28-11-16(23)21-19(26)20-10-15-8-5-9-27-15/h5,8-9,14H,2-4,6-7,10-13H2,1H3,(H2,20,21,23,26).
What are the key properties of [2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 2-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]sulfanylacetate?
[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 2-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]sulfanylacetate has a molecular weight of 425.51 g/mol, XLogP of 1.67, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 2-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]sulfanylacetate is sourced from PubChem (CID 7739268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).