tert-butyl 2-[(2-methoxyacetyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxylate

C15H21NO5S — CID 167900659

IUPACtert-butyl 2-[(2-methoxyacetyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxylate
SMILESCOCC(=O)Nc1sc2c(c1C(=O)OC(C)(C)C)CCOC2
InChIInChI=1S/C15H21NO5S/c1-15(2,3)21-14(18)12-9-5-6-20-7-10(9)22-13(12)16-11(17)8-19-4/h5-8H2,1-4H3,(H,16,17)
InChIKeyHFSNQKHCFHMJDA-UHFFFAOYSA-N
MW327.40 g/mol
LogP2.36
Rot. Bonds4

About tert-butyl 2-[(2-methoxyacetyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxylate

tert-butyl 2-[(2-methoxyacetyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxylate (PubChem CID 167900659) has the molecular formula C15H21NO5S and a molecular weight of 327.40 g/mol. Its IUPAC name is tert-butyl 2-[(2-methoxyacetyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-[(2-methoxyacetyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxylate
PubChem CID167900659
Molecular FormulaC15H21NO5S
Molecular Weight327.40 g/mol
Exact Mass327.11
IUPAC Nametert-butyl 2-[(2-methoxyacetyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxylate
SMILESCOCC(=O)Nc1sc2c(c1C(=O)OC(C)(C)C)CCOC2
InChIInChI=1S/C15H21NO5S/c1-15(2,3)21-14(18)12-9-5-6-20-7-10(9)22-13(12)16-11(17)8-19-4/h5-8H2,1-4H3,(H,16,17)
InChIKeyHFSNQKHCFHMJDA-UHFFFAOYSA-N
XLogP2.36
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.40
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze tert-butyl 2-[(2-methoxyacetyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxylate with MolForge

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Related Compounds

tert-butyl 2-(2H-tetrazole-5-carbonylamino)-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxylate
CID 57264016
tert-butyl 2-[(2-ethyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-3-yl)methylcarbamoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxylate
CID 126577308
tert-butyl 2-[[2-(trifluoromethyl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-3-yl]methylcarbamoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxylate
CID 126577235
tert-butyl 2-(ethoxycarbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 10496292
ethyl 2-[[2-(2-methoxyacetyl)oxyacetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
CID 7775841
tert-butyl 2-(methylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 138564981
methyl 2-[[2-[2-[(3-methoxycarbonyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-oxoethoxy]acetyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
CID 4090137
dimethyl 2-[(2-methoxyacetyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3,4-dicarboxylate
CID 2955547
2-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid
CID 115949213
[2-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl] 3,3-dimethylbutanoate
CID 7950749
2-(dimethylcarbamoylamino)-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide
CID 69448613
propyl 2-amino-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxylate
CID 68909741

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[(2-methoxyacetyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxylate?
The IUPAC name of tert-butyl 2-[(2-methoxyacetyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxylate (CID 167900659) is tert-butyl 2-[(2-methoxyacetyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxylate.
What is the SMILES notation for tert-butyl 2-[(2-methoxyacetyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxylate?
The canonical SMILES for tert-butyl 2-[(2-methoxyacetyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxylate is COCC(=O)Nc1sc2c(c1C(=O)OC(C)(C)C)CCOC2.
What is the InChIKey of tert-butyl 2-[(2-methoxyacetyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxylate?
The InChIKey is HFSNQKHCFHMJDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO5S/c1-15(2,3)21-14(18)12-9-5-6-20-7-10(9)22-13(12)16-11(17)8-19-4/h5-8H2,1-4H3,(H,16,17).
What are the key properties of tert-butyl 2-[(2-methoxyacetyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxylate?
tert-butyl 2-[(2-methoxyacetyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxylate has a molecular weight of 327.40 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[(2-methoxyacetyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxylate is sourced from PubChem (CID 167900659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).