methyl 2-[(2,5-dimethylfuran-3-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylate

C15H17NO4S — CID 16649201

IUPACmethyl 2-[(2,5-dimethylfuran-3-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylate
SMILESCOC(=O)c1c(NC(=O)c2cc(C)oc2C)sc(C)c1C
InChIInChI=1S/C15H17NO4S/c1-7-6-11(9(3)20-7)13(17)16-14-12(15(18)19-5)8(2)10(4)21-14/h6H,1-5H3,(H,16,17)
InChIKeyBOASPAVLIZXLOC-UHFFFAOYSA-N
MW307.37 g/mol
LogP3.61
Rot. Bonds3

About methyl 2-[(2,5-dimethylfuran-3-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylate

methyl 2-[(2,5-dimethylfuran-3-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylate (PubChem CID 16649201) has the molecular formula C15H17NO4S and a molecular weight of 307.37 g/mol. Its IUPAC name is methyl 2-[(2,5-dimethylfuran-3-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-[(2,5-dimethylfuran-3-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylate
PubChem CID16649201
Molecular FormulaC15H17NO4S
Molecular Weight307.37 g/mol
Exact Mass307.09
IUPAC Namemethyl 2-[(2,5-dimethylfuran-3-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylate
SMILESCOC(=O)c1c(NC(=O)c2cc(C)oc2C)sc(C)c1C
InChIInChI=1S/C15H17NO4S/c1-7-6-11(9(3)20-7)13(17)16-14-12(15(18)19-5)8(2)10(4)21-14/h6H,1-5H3,(H,16,17)
InChIKeyBOASPAVLIZXLOC-UHFFFAOYSA-N
XLogP3.61
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.37
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[(2,4-dimethylbenzoyl)amino]-4,5-dimethylthiophene-3-carboxylate
CID 7287254
methyl 2-[(5-aminofuran-2-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylate
CID 82344409
methyl 2-[(5-fluoro-2-methylbenzoyl)amino]-4,5-dimethylthiophene-3-carboxylate
CID 33075863
methyl 2-[(8-hydroxy-2-iminochromene-3-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylate
CID 19572105
methyl 2-[(4-bromo-2-fluorobenzoyl)amino]-4,5-dimethylthiophene-3-carboxylate
CID 16566495
methyl 2-[(5-chlorothiophene-2-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylate
CID 1245265
methyl 2-(dibenzofuran-2-carbonylamino)-4,5-dimethylthiophene-3-carboxylate
CID 18876182
ethyl 4,5-dimethyl-2-[(2-methylfuran-3-carbonyl)amino]thiophene-3-carboxylate
CID 737612
methyl 2-[(7-chloro-1,3-benzodioxole-5-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylate
CID 47007342
methyl 4,5-dimethyl-2-[(5-phenyl-1,2-oxazole-3-carbonyl)amino]thiophene-3-carboxylate
CID 43981345
methyl 4,5-dimethyl-2-[(5-methyl-1,2-oxazol-3-yl)carbamothioylamino]thiophene-3-carboxylate
CID 17284062
methyl 4,5-dimethyl-2-(3-methylbut-2-enoylamino)thiophene-3-carboxylate
CID 113220579

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2,5-dimethylfuran-3-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylate?
The IUPAC name of methyl 2-[(2,5-dimethylfuran-3-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylate (CID 16649201) is methyl 2-[(2,5-dimethylfuran-3-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylate.
What is the SMILES notation for methyl 2-[(2,5-dimethylfuran-3-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylate?
The canonical SMILES for methyl 2-[(2,5-dimethylfuran-3-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylate is COC(=O)c1c(NC(=O)c2cc(C)oc2C)sc(C)c1C.
What is the InChIKey of methyl 2-[(2,5-dimethylfuran-3-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylate?
The InChIKey is BOASPAVLIZXLOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO4S/c1-7-6-11(9(3)20-7)13(17)16-14-12(15(18)19-5)8(2)10(4)21-14/h6H,1-5H3,(H,16,17).
What are the key properties of methyl 2-[(2,5-dimethylfuran-3-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylate?
methyl 2-[(2,5-dimethylfuran-3-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylate has a molecular weight of 307.37 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2,5-dimethylfuran-3-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylate is sourced from PubChem (CID 16649201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).