[(3S,3aS,6S,6aS)-3-[(2-thiophen-2-ylacetyl)amino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] N-ethylcarbamate

C15H20N2O5S — CID 163123264

IUPAC[(3S,3aS,6S,6aS)-3-[(2-thiophen-2-ylacetyl)amino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] N-ethylcarbamate
SMILESCCNC(=O)O[C@H]1CO[C@@H]2[C@@H]1OC[C@@H]2NC(=O)Cc1cccs1
InChIInChI=1S/C15H20N2O5S/c1-2-16-15(19)22-11-8-21-13-10(7-20-14(11)13)17-12(18)6-9-4-3-5-23-9/h3-5,10-11,13-14H,2,6-8H2,1H3,(H,16,19)(H,17,18)/t10-,11-,13-,14+/m0/s1
InChIKeyCHDYJNPJOZYPKJ-AUZPSNTRSA-N
MW340.40 g/mol
LogP0.69
Rot. Bonds5

About [(3S,3aS,6S,6aS)-3-[(2-thiophen-2-ylacetyl)amino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] N-ethylcarbamate

[(3S,3aS,6S,6aS)-3-[(2-thiophen-2-ylacetyl)amino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] N-ethylcarbamate (PubChem CID 163123264) has the molecular formula C15H20N2O5S and a molecular weight of 340.40 g/mol. Its IUPAC name is [(3S,3aS,6S,6aS)-3-[(2-thiophen-2-ylacetyl)amino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] N-ethylcarbamate.

Molecular Properties

Compound Name[(3S,3aS,6S,6aS)-3-[(2-thiophen-2-ylacetyl)amino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] N-ethylcarbamate
PubChem CID163123264
Molecular FormulaC15H20N2O5S
Molecular Weight340.40 g/mol
Exact Mass340.11
IUPAC Name[(3S,3aS,6S,6aS)-3-[(2-thiophen-2-ylacetyl)amino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] N-ethylcarbamate
SMILESCCNC(=O)O[C@H]1CO[C@@H]2[C@@H]1OC[C@@H]2NC(=O)Cc1cccs1
InChIInChI=1S/C15H20N2O5S/c1-2-16-15(19)22-11-8-21-13-10(7-20-14(11)13)17-12(18)6-9-4-3-5-23-9/h3-5,10-11,13-14H,2,6-8H2,1H3,(H,16,19)(H,17,18)/t10-,11-,13-,14+/m0/s1
InChIKeyCHDYJNPJOZYPKJ-AUZPSNTRSA-N
XLogP0.69
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [(3S,3aS,6S,6aS)-3-[(2-thiophen-2-ylacetyl)amino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] N-ethylcarbamate with MolForge

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Related Compounds

[(3S,3aS,6S,6aS)-3-(phenylcarbamoylamino)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] N-ethylcarbamate
CID 162850772
[(3S,3aS,6S,6aS)-3-(benzylamino)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] N-ethylcarbamate
CID 162986917
methyl 3-[[(3S,3aR,6R,6aS)-6-(ethylcarbamoyloxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]carbamoyl]benzoate
CID 11885943
[3-[(4-propan-2-ylphenyl)carbamoylamino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] N-ethylcarbamate
CID 73133262
[(3S,3aR,6R,6aS)-3-[(3,5-dimethoxyphenyl)carbamothioylamino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] N-ethylcarbamate
CID 11867403
N-[(3S,3aR,6S,6aR)-3-[(4-phenylpyrimidin-2-yl)amino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-2-thiophen-2-ylacetamide
CID 11912566
N-[3-[(4-phenylpyrimidin-2-yl)amino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-2-thiophen-2-ylacetamide
CID 73139431
(2R)-N-ethyl-2-[(2-thiophen-2-ylacetyl)amino]propanamide
CID 8750175
[(3S,3aS,6S,6aS)-3-(thiophen-2-ylsulfonylamino)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] N-(4-acetylphenyl)carbamate
CID 162895152
N-cyclooctyl-2-thiophen-2-ylacetamide
CID 17256729
2-thiophen-2-yl-N-[2-[(2-thiophen-2-ylacetyl)amino]ethyl]acetamide
CID 25146649
N-[(3S,4R)-3-pyridin-2-yloxyoxan-4-yl]-2-thiophen-2-ylacetamide
CID 91791487

Frequently Asked Questions

What is the IUPAC name of [(3S,3aS,6S,6aS)-3-[(2-thiophen-2-ylacetyl)amino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] N-ethylcarbamate?
The IUPAC name of [(3S,3aS,6S,6aS)-3-[(2-thiophen-2-ylacetyl)amino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] N-ethylcarbamate (CID 163123264) is [(3S,3aS,6S,6aS)-3-[(2-thiophen-2-ylacetyl)amino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] N-ethylcarbamate.
What is the SMILES notation for [(3S,3aS,6S,6aS)-3-[(2-thiophen-2-ylacetyl)amino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] N-ethylcarbamate?
The canonical SMILES for [(3S,3aS,6S,6aS)-3-[(2-thiophen-2-ylacetyl)amino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] N-ethylcarbamate is CCNC(=O)O[C@H]1CO[C@@H]2[C@@H]1OC[C@@H]2NC(=O)Cc1cccs1.
What is the InChIKey of [(3S,3aS,6S,6aS)-3-[(2-thiophen-2-ylacetyl)amino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] N-ethylcarbamate?
The InChIKey is CHDYJNPJOZYPKJ-AUZPSNTRSA-N. The full InChI is InChI=1S/C15H20N2O5S/c1-2-16-15(19)22-11-8-21-13-10(7-20-14(11)13)17-12(18)6-9-4-3-5-23-9/h3-5,10-11,13-14H,2,6-8H2,1H3,(H,16,19)(H,17,18)/t10-,11-,13-,14+/m0/s1.
What are the key properties of [(3S,3aS,6S,6aS)-3-[(2-thiophen-2-ylacetyl)amino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] N-ethylcarbamate?
[(3S,3aS,6S,6aS)-3-[(2-thiophen-2-ylacetyl)amino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] N-ethylcarbamate has a molecular weight of 340.40 g/mol, XLogP of 0.69, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,3aS,6S,6aS)-3-[(2-thiophen-2-ylacetyl)amino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] N-ethylcarbamate is sourced from PubChem (CID 163123264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).