2-O-methyl 4-O-propyl 3-methyl-5-(oxolane-2-carbonylamino)thiophene-2,4-dicarboxylate

C16H21NO6S — CID 4162216

IUPAC2-O-methyl 4-O-propyl 3-methyl-5-(oxolane-2-carbonylamino)thiophene-2,4-dicarboxylate
SMILESCCCOC(=O)c1c(NC(=O)C2CCCO2)sc(C(=O)OC)c1C
InChIInChI=1S/C16H21NO6S/c1-4-7-23-15(19)11-9(2)12(16(20)21-3)24-14(11)17-13(18)10-6-5-8-22-10/h10H,4-8H2,1-3H3,(H,17,18)
InChIKeyZTSJPFFLRLSVSI-UHFFFAOYSA-N
MW355.41 g/mol
LogP2.53
Rot. Bonds6

About 2-O-methyl 4-O-propyl 3-methyl-5-(oxolane-2-carbonylamino)thiophene-2,4-dicarboxylate

2-O-methyl 4-O-propyl 3-methyl-5-(oxolane-2-carbonylamino)thiophene-2,4-dicarboxylate (PubChem CID 4162216) has the molecular formula C16H21NO6S and a molecular weight of 355.41 g/mol. Its IUPAC name is 2-O-methyl 4-O-propyl 3-methyl-5-(oxolane-2-carbonylamino)thiophene-2,4-dicarboxylate.

Molecular Properties

Compound Name2-O-methyl 4-O-propyl 3-methyl-5-(oxolane-2-carbonylamino)thiophene-2,4-dicarboxylate
PubChem CID4162216
Molecular FormulaC16H21NO6S
Molecular Weight355.41 g/mol
Exact Mass355.11
IUPAC Name2-O-methyl 4-O-propyl 3-methyl-5-(oxolane-2-carbonylamino)thiophene-2,4-dicarboxylate
SMILESCCCOC(=O)c1c(NC(=O)C2CCCO2)sc(C(=O)OC)c1C
InChIInChI=1S/C16H21NO6S/c1-4-7-23-15(19)11-9(2)12(16(20)21-3)24-14(11)17-13(18)10-6-5-8-22-10/h10H,4-8H2,1-3H3,(H,17,18)
InChIKeyZTSJPFFLRLSVSI-UHFFFAOYSA-N
XLogP2.53
TPSA90.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.41
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(Oxalyl-Amino)-4,7-Dihydro-5h-Thieno[2,3-C]Pyran-3-Carboxylic Acid
CID 444765
Diethyl 5-acetamido-3-methylthiophene-2,4-dicarboxylate
CID 291812
(2-Oxooxolan-3-yl) 2-acetamido-4,5-dimethylthiophene-3-carboxylate
CID 3000068
2-Ethyl 4-methyl 5-[(methoxycarbonyl)amino]-3-methyl-2,4-thiophenedicarboxylate
CID 1246494
2-Acetylamino-4-methyl-5-(morpholine-4-carbonyl)-thiophene-3-carboxylic acid methyl ester
CID 829075
Ethyl 4,5-dimethyl-2-(oxolan-2-ylcarbonylamino)thiophene-3-carboxylate
CID 3138739
Ethyl 4,5-dimethyl-2-[[2-(2-methylcyclopropanecarbonyl)oxyacetyl]amino]thiophene-3-carboxylate
CID 4456612
Dimethyl 5-isobutyramido-3-methylthiophene-2,4-dicarboxylate
CID 662211
ethyl 2-(oxolane-2-carbonylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
CID 2791251
methyl 2-[(tetrahydro-2-furanylcarbonyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
CID 2861929
Diethyl 3-methyl-5-[3-(4-methylpiperazin-1-yl)propanoylamino]thiophene-2,4-dicarboxylate
CID 1115164
Diethyl 5-(3-(azepan-1-yl)propanamido)-3-methylthiophene-2,4-dicarboxylate
CID 1183193

Frequently Asked Questions

What is the IUPAC name of 2-O-methyl 4-O-propyl 3-methyl-5-(oxolane-2-carbonylamino)thiophene-2,4-dicarboxylate?
The IUPAC name of 2-O-methyl 4-O-propyl 3-methyl-5-(oxolane-2-carbonylamino)thiophene-2,4-dicarboxylate (CID 4162216) is 2-O-methyl 4-O-propyl 3-methyl-5-(oxolane-2-carbonylamino)thiophene-2,4-dicarboxylate.
What is the SMILES notation for 2-O-methyl 4-O-propyl 3-methyl-5-(oxolane-2-carbonylamino)thiophene-2,4-dicarboxylate?
The canonical SMILES for 2-O-methyl 4-O-propyl 3-methyl-5-(oxolane-2-carbonylamino)thiophene-2,4-dicarboxylate is CCCOC(=O)c1c(NC(=O)C2CCCO2)sc(C(=O)OC)c1C.
What is the InChIKey of 2-O-methyl 4-O-propyl 3-methyl-5-(oxolane-2-carbonylamino)thiophene-2,4-dicarboxylate?
The InChIKey is ZTSJPFFLRLSVSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO6S/c1-4-7-23-15(19)11-9(2)12(16(20)21-3)24-14(11)17-13(18)10-6-5-8-22-10/h10H,4-8H2,1-3H3,(H,17,18).
What are the key properties of 2-O-methyl 4-O-propyl 3-methyl-5-(oxolane-2-carbonylamino)thiophene-2,4-dicarboxylate?
2-O-methyl 4-O-propyl 3-methyl-5-(oxolane-2-carbonylamino)thiophene-2,4-dicarboxylate has a molecular weight of 355.41 g/mol, XLogP of 2.53, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-O-methyl 4-O-propyl 3-methyl-5-(oxolane-2-carbonylamino)thiophene-2,4-dicarboxylate is sourced from PubChem (CID 4162216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).