methyl 5-methyl-2-[3-(5-methylfuran-2-yl)propanoylamino]thiophene-3-carboxylate

C15H17NO4S — CID 16649179

IUPACmethyl 5-methyl-2-[3-(5-methylfuran-2-yl)propanoylamino]thiophene-3-carboxylate
SMILESCOC(=O)c1cc(C)sc1NC(=O)CCc1ccc(C)o1
InChIInChI=1S/C15H17NO4S/c1-9-4-5-11(20-9)6-7-13(17)16-14-12(15(18)19-3)8-10(2)21-14/h4-5,8H,6-7H2,1-3H3,(H,16,17)
InChIKeyXHPHRIXSUIPXLD-UHFFFAOYSA-N
MW307.37 g/mol
LogP3.32
Rot. Bonds5

About methyl 5-methyl-2-[3-(5-methylfuran-2-yl)propanoylamino]thiophene-3-carboxylate

methyl 5-methyl-2-[3-(5-methylfuran-2-yl)propanoylamino]thiophene-3-carboxylate (PubChem CID 16649179) has the molecular formula C15H17NO4S and a molecular weight of 307.37 g/mol. Its IUPAC name is methyl 5-methyl-2-[3-(5-methylfuran-2-yl)propanoylamino]thiophene-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-methyl-2-[3-(5-methylfuran-2-yl)propanoylamino]thiophene-3-carboxylate
PubChem CID16649179
Molecular FormulaC15H17NO4S
Molecular Weight307.37 g/mol
Exact Mass307.09
IUPAC Namemethyl 5-methyl-2-[3-(5-methylfuran-2-yl)propanoylamino]thiophene-3-carboxylate
SMILESCOC(=O)c1cc(C)sc1NC(=O)CCc1ccc(C)o1
InChIInChI=1S/C15H17NO4S/c1-9-4-5-11(20-9)6-7-13(17)16-14-12(15(18)19-3)8-10(2)21-14/h4-5,8H,6-7H2,1-3H3,(H,16,17)
InChIKeyXHPHRIXSUIPXLD-UHFFFAOYSA-N
XLogP3.32
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.37
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4,5-dimethyl-2-[3-(5-methylfuran-2-yl)propanoylamino]thiophene-3-carboxylate
CID 880151
methyl 2-[[5-[(4-fluorophenoxy)methyl]furan-2-carbonyl]amino]-5-methylthiophene-3-carboxylate
CID 19413105
4-[(3-ethoxycarbonyl-5-methylthiophen-2-yl)amino]-4-oxobutanoic acid
CID 831651
N-(4-ethoxyphenyl)-3-(5-methylfuran-2-yl)propanamide
CID 2243182
methyl 2-[[(1R)-2,2-dibromo-1-methylcyclopropanecarbonyl]amino]-5-methylthiophene-3-carboxylate
CID 2166475
6-[(3-ethoxycarbonyl-5-methylthiophen-2-yl)amino]-6-oxohexanoic acid
CID 63618723
3-(5-methylfuran-2-yl)-N-[3-[3-(5-methylfuran-2-yl)propanoylamino]propyl]propanamide
CID 4780000
2-[[6-[(3-carboxy-5-methylthiophen-2-yl)amino]-6-oxohexanoyl]amino]-5-methylthiophene-3-carboxylic acid
CID 24859424
ethyl 2-[(2-aminoacetyl)amino]-5-methylthiophene-3-carboxylate
CID 63619076
N-(4-methoxy-2-nitrophenyl)-3-(5-methylfuran-2-yl)propanamide
CID 16648625
2-[3-(4-fluorophenyl)propanoylamino]-5-methylthiophene-3-carboxylic acid
CID 63614206
3-methyl-2-[3-(5-methylfuran-2-yl)propanoylamino]benzoic acid
CID 6489244

Frequently Asked Questions

What is the IUPAC name of methyl 5-methyl-2-[3-(5-methylfuran-2-yl)propanoylamino]thiophene-3-carboxylate?
The IUPAC name of methyl 5-methyl-2-[3-(5-methylfuran-2-yl)propanoylamino]thiophene-3-carboxylate (CID 16649179) is methyl 5-methyl-2-[3-(5-methylfuran-2-yl)propanoylamino]thiophene-3-carboxylate.
What is the SMILES notation for methyl 5-methyl-2-[3-(5-methylfuran-2-yl)propanoylamino]thiophene-3-carboxylate?
The canonical SMILES for methyl 5-methyl-2-[3-(5-methylfuran-2-yl)propanoylamino]thiophene-3-carboxylate is COC(=O)c1cc(C)sc1NC(=O)CCc1ccc(C)o1.
What is the InChIKey of methyl 5-methyl-2-[3-(5-methylfuran-2-yl)propanoylamino]thiophene-3-carboxylate?
The InChIKey is XHPHRIXSUIPXLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO4S/c1-9-4-5-11(20-9)6-7-13(17)16-14-12(15(18)19-3)8-10(2)21-14/h4-5,8H,6-7H2,1-3H3,(H,16,17).
What are the key properties of methyl 5-methyl-2-[3-(5-methylfuran-2-yl)propanoylamino]thiophene-3-carboxylate?
methyl 5-methyl-2-[3-(5-methylfuran-2-yl)propanoylamino]thiophene-3-carboxylate has a molecular weight of 307.37 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-methyl-2-[3-(5-methylfuran-2-yl)propanoylamino]thiophene-3-carboxylate is sourced from PubChem (CID 16649179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).