methyl 3-[[2-[furan-2-ylmethyl(oxolan-2-ylmethyl)amino]acetyl]amino]thiophene-2-carboxylate

C18H22N2O5S — CID 47537171

IUPACmethyl 3-[[2-[furan-2-ylmethyl(oxolan-2-ylmethyl)amino]acetyl]amino]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1NC(=O)CN(Cc1ccco1)CC1CCCO1
InChIInChI=1S/C18H22N2O5S/c1-23-18(22)17-15(6-9-26-17)19-16(21)12-20(10-13-4-2-7-24-13)11-14-5-3-8-25-14/h2,4,6-7,9,14H,3,5,8,10-12H2,1H3,(H,19,21)
InChIKeyWEAMFATZIWDJLC-UHFFFAOYSA-N
MW378.45 g/mol
LogP2.75
Rot. Bonds8

About methyl 3-[[2-[furan-2-ylmethyl(oxolan-2-ylmethyl)amino]acetyl]amino]thiophene-2-carboxylate

methyl 3-[[2-[furan-2-ylmethyl(oxolan-2-ylmethyl)amino]acetyl]amino]thiophene-2-carboxylate (PubChem CID 47537171) has the molecular formula C18H22N2O5S and a molecular weight of 378.45 g/mol. Its IUPAC name is methyl 3-[[2-[furan-2-ylmethyl(oxolan-2-ylmethyl)amino]acetyl]amino]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[[2-[furan-2-ylmethyl(oxolan-2-ylmethyl)amino]acetyl]amino]thiophene-2-carboxylate
PubChem CID47537171
Molecular FormulaC18H22N2O5S
Molecular Weight378.45 g/mol
Exact Mass378.12
IUPAC Namemethyl 3-[[2-[furan-2-ylmethyl(oxolan-2-ylmethyl)amino]acetyl]amino]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1NC(=O)CN(Cc1ccco1)CC1CCCO1
InChIInChI=1S/C18H22N2O5S/c1-23-18(22)17-15(6-9-26-17)19-16(21)12-20(10-13-4-2-7-24-13)11-14-5-3-8-25-14/h2,4,6-7,9,14H,3,5,8,10-12H2,1H3,(H,19,21)
InChIKeyWEAMFATZIWDJLC-UHFFFAOYSA-N
XLogP2.75
TPSA81.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 3-[[2-[furan-2-ylmethyl(oxolan-2-ylmethyl)amino]acetyl]amino]thiophene-2-carboxylate with MolForge

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Related Compounds

N-(2-fluorophenyl)-2-[furan-2-ylmethyl(oxolan-2-ylmethyl)amino]acetamide
CID 86842664
N-(furan-2-ylmethyl)-2-[furan-2-ylmethyl(oxolan-2-ylmethyl)amino]acetamide
CID 47537569
N-(3-acetylphenyl)-2-[furan-2-ylmethyl(oxolan-2-ylmethyl)amino]acetamide
CID 60585132
2-[furan-2-ylmethyl(oxolan-2-ylmethyl)amino]-N-prop-2-enylacetamide
CID 47537442
N-cyclopropyl-3-[[2-[furan-2-ylmethyl(oxolan-2-ylmethyl)amino]acetyl]amino]benzamide
CID 47537148
methyl 2-[[2-[[(2R)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
CID 27652891
1-(furan-2-ylmethyl)-3-(2-methoxyphenyl)-1-[[(2S)-oxolan-2-yl]methyl]urea
CID 773145
methyl 2-[[2-[benzyl(oxolan-2-ylmethyl)amino]acetyl]amino]-4,5-dimethylthiophene-3-carboxylate
CID 60565348
N-(4-acetamidophenyl)-2-[[(2R)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]acetamide
CID 9055247
N-naphthalen-1-yl-2-[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]acetamide
CID 9055085
methyl 3-(oxolan-2-ylmethylsulfonylamino)thiophene-2-carboxylate
CID 55174697
N-(2-methylsulfonylphenyl)-2-[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]acetamide
CID 8926224

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[2-[furan-2-ylmethyl(oxolan-2-ylmethyl)amino]acetyl]amino]thiophene-2-carboxylate?
The IUPAC name of methyl 3-[[2-[furan-2-ylmethyl(oxolan-2-ylmethyl)amino]acetyl]amino]thiophene-2-carboxylate (CID 47537171) is methyl 3-[[2-[furan-2-ylmethyl(oxolan-2-ylmethyl)amino]acetyl]amino]thiophene-2-carboxylate.
What is the SMILES notation for methyl 3-[[2-[furan-2-ylmethyl(oxolan-2-ylmethyl)amino]acetyl]amino]thiophene-2-carboxylate?
The canonical SMILES for methyl 3-[[2-[furan-2-ylmethyl(oxolan-2-ylmethyl)amino]acetyl]amino]thiophene-2-carboxylate is COC(=O)c1sccc1NC(=O)CN(Cc1ccco1)CC1CCCO1.
What is the InChIKey of methyl 3-[[2-[furan-2-ylmethyl(oxolan-2-ylmethyl)amino]acetyl]amino]thiophene-2-carboxylate?
The InChIKey is WEAMFATZIWDJLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O5S/c1-23-18(22)17-15(6-9-26-17)19-16(21)12-20(10-13-4-2-7-24-13)11-14-5-3-8-25-14/h2,4,6-7,9,14H,3,5,8,10-12H2,1H3,(H,19,21).
What are the key properties of methyl 3-[[2-[furan-2-ylmethyl(oxolan-2-ylmethyl)amino]acetyl]amino]thiophene-2-carboxylate?
methyl 3-[[2-[furan-2-ylmethyl(oxolan-2-ylmethyl)amino]acetyl]amino]thiophene-2-carboxylate has a molecular weight of 378.45 g/mol, XLogP of 2.75, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[2-[furan-2-ylmethyl(oxolan-2-ylmethyl)amino]acetyl]amino]thiophene-2-carboxylate is sourced from PubChem (CID 47537171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).