[(2R)-3-[furan-2-ylmethyl(thiophen-3-ylmethyl)amino]-2-hydroxypropyl] butanoate

C17H23NO4S — CID 93162504

IUPAC[(2R)-3-[furan-2-ylmethyl(thiophen-3-ylmethyl)amino]-2-hydroxypropyl] butanoate
SMILESCCCC(=O)OC[C@H](O)CN(Cc1ccsc1)Cc1ccco1
InChIInChI=1S/C17H23NO4S/c1-2-4-17(20)22-12-15(19)10-18(9-14-6-8-23-13-14)11-16-5-3-7-21-16/h3,5-8,13,15,19H,2,4,9-12H2,1H3/t15-/m1/s1
InChIKeyACORNCCLWGWBMC-OAHLLOKOSA-N
MW337.44 g/mol
LogP3.05
Rot. Bonds10

About [(2R)-3-[furan-2-ylmethyl(thiophen-3-ylmethyl)amino]-2-hydroxypropyl] butanoate

[(2R)-3-[furan-2-ylmethyl(thiophen-3-ylmethyl)amino]-2-hydroxypropyl] butanoate (PubChem CID 93162504) has the molecular formula C17H23NO4S and a molecular weight of 337.44 g/mol. Its IUPAC name is [(2R)-3-[furan-2-ylmethyl(thiophen-3-ylmethyl)amino]-2-hydroxypropyl] butanoate.

Molecular Properties

Compound Name[(2R)-3-[furan-2-ylmethyl(thiophen-3-ylmethyl)amino]-2-hydroxypropyl] butanoate
PubChem CID93162504
Molecular FormulaC17H23NO4S
Molecular Weight337.44 g/mol
Exact Mass337.13
IUPAC Name[(2R)-3-[furan-2-ylmethyl(thiophen-3-ylmethyl)amino]-2-hydroxypropyl] butanoate
SMILESCCCC(=O)OC[C@H](O)CN(Cc1ccsc1)Cc1ccco1
InChIInChI=1S/C17H23NO4S/c1-2-4-17(20)22-12-15(19)10-18(9-14-6-8-23-13-14)11-16-5-3-7-21-16/h3,5-8,13,15,19H,2,4,9-12H2,1H3/t15-/m1/s1
InChIKeyACORNCCLWGWBMC-OAHLLOKOSA-N
XLogP3.05
TPSA62.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.44
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[(2S)-3-[furan-2-ylmethyl-[(4-methoxyphenyl)methyl]amino]-2-hydroxypropyl] butanoate
CID 93163907
[(2S)-3-[furan-2-ylmethyl-[(5-methylthiophen-2-yl)methyl]amino]-2-hydroxypropyl] butanoate
CID 93163364
(2R)-1-(furan-2-ylmethoxy)-3-[propyl(thiophen-3-ylmethyl)amino]propan-2-ol
CID 93162553
[3-[benzyl(thiophen-2-ylmethyl)amino]-2-hydroxypropyl] butanoate
CID 42837187
[3-[2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]ethyl-(furan-2-ylmethyl)amino]-2-hydroxypropyl] butanoate
CID 46015539
[5-[[furan-2-ylmethyl(thiophen-3-ylmethyl)amino]methyl]furan-2-yl]methanol
CID 46992645
[3-[benzyl-[(3-methoxyphenyl)methyl]amino]-2-hydroxypropyl] butanoate
CID 46007143
1-[benzyl(furan-2-ylmethyl)amino]-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 55346175
(2R)-1-[(4-fluorophenyl)methyl-(furan-2-ylmethyl)amino]-3-(furan-2-ylmethoxy)propan-2-ol
CID 93164063
1-[(3-fluorophenyl)methyl-(furan-2-ylmethyl)amino]-3-(furan-2-ylmethoxy)propan-2-ol
CID 46007950
1-(dibenzylamino)-3-(furan-2-ylmethoxy)propan-2-ol
CID 42682210
[2-hydroxy-3-[(4-methylphenyl)methyl-(2-methylpropyl)amino]propyl] butanoate
CID 42682150

Frequently Asked Questions

What is the IUPAC name of [(2R)-3-[furan-2-ylmethyl(thiophen-3-ylmethyl)amino]-2-hydroxypropyl] butanoate?
The IUPAC name of [(2R)-3-[furan-2-ylmethyl(thiophen-3-ylmethyl)amino]-2-hydroxypropyl] butanoate (CID 93162504) is [(2R)-3-[furan-2-ylmethyl(thiophen-3-ylmethyl)amino]-2-hydroxypropyl] butanoate.
What is the SMILES notation for [(2R)-3-[furan-2-ylmethyl(thiophen-3-ylmethyl)amino]-2-hydroxypropyl] butanoate?
The canonical SMILES for [(2R)-3-[furan-2-ylmethyl(thiophen-3-ylmethyl)amino]-2-hydroxypropyl] butanoate is CCCC(=O)OC[C@H](O)CN(Cc1ccsc1)Cc1ccco1.
What is the InChIKey of [(2R)-3-[furan-2-ylmethyl(thiophen-3-ylmethyl)amino]-2-hydroxypropyl] butanoate?
The InChIKey is ACORNCCLWGWBMC-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H23NO4S/c1-2-4-17(20)22-12-15(19)10-18(9-14-6-8-23-13-14)11-16-5-3-7-21-16/h3,5-8,13,15,19H,2,4,9-12H2,1H3/t15-/m1/s1.
What are the key properties of [(2R)-3-[furan-2-ylmethyl(thiophen-3-ylmethyl)amino]-2-hydroxypropyl] butanoate?
[(2R)-3-[furan-2-ylmethyl(thiophen-3-ylmethyl)amino]-2-hydroxypropyl] butanoate has a molecular weight of 337.44 g/mol, XLogP of 3.05, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-3-[furan-2-ylmethyl(thiophen-3-ylmethyl)amino]-2-hydroxypropyl] butanoate is sourced from PubChem (CID 93162504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).