methyl 4-methyl-3-[(6-oxopyran-3-carbonyl)amino]thiophene-2-carboxylate

C13H11NO5S — CID 114916262

IUPACmethyl 4-methyl-3-[(6-oxopyran-3-carbonyl)amino]thiophene-2-carboxylate
SMILESCOC(=O)c1scc(C)c1NC(=O)c1ccc(=O)oc1
InChIInChI=1S/C13H11NO5S/c1-7-6-20-11(13(17)18-2)10(7)14-12(16)8-3-4-9(15)19-5-8/h3-6H,1-2H3,(H,14,16)
InChIKeyLXJOHAXDPBNZRE-UHFFFAOYSA-N
MW293.30 g/mol
LogP2.05
Rot. Bonds3

About methyl 4-methyl-3-[(6-oxopyran-3-carbonyl)amino]thiophene-2-carboxylate

methyl 4-methyl-3-[(6-oxopyran-3-carbonyl)amino]thiophene-2-carboxylate (PubChem CID 114916262) has the molecular formula C13H11NO5S and a molecular weight of 293.30 g/mol. Its IUPAC name is methyl 4-methyl-3-[(6-oxopyran-3-carbonyl)amino]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-methyl-3-[(6-oxopyran-3-carbonyl)amino]thiophene-2-carboxylate
PubChem CID114916262
Molecular FormulaC13H11NO5S
Molecular Weight293.30 g/mol
Exact Mass293.04
IUPAC Namemethyl 4-methyl-3-[(6-oxopyran-3-carbonyl)amino]thiophene-2-carboxylate
SMILESCOC(=O)c1scc(C)c1NC(=O)c1ccc(=O)oc1
InChIInChI=1S/C13H11NO5S/c1-7-6-20-11(13(17)18-2)10(7)14-12(16)8-3-4-9(15)19-5-8/h3-6H,1-2H3,(H,14,16)
InChIKeyLXJOHAXDPBNZRE-UHFFFAOYSA-N
XLogP2.05
TPSA85.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.30
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 3-[(4-bromobenzoyl)amino]-4-methylthiophene-2-carboxylate
CID 114915742
methyl 3-[(3-hydroxybenzoyl)amino]-4-methylthiophene-2-carboxylate
CID 114915804
methyl 3-[(3-amino-4-fluorobenzoyl)amino]-4-methylthiophene-2-carboxylate
CID 114914534
methyl 3-[(2,5-dimethylpyrazole-3-carbonyl)amino]-4-methylthiophene-2-carboxylate
CID 99623538
methyl 3-[(4-chloro-2-methylbenzoyl)amino]-4-methylthiophene-2-carboxylate
CID 102610428
methyl 3-[(4-bromo-2-methylbenzoyl)amino]-4-methylthiophene-2-carboxylate
CID 114916359
methyl 3-[(3-chloro-5-methylbenzoyl)amino]-4-methylthiophene-2-carboxylate
CID 114916201
methyl 4-methyl-3-[(2,2,2-trichloroacetyl)amino]thiophene-2-carboxylate
CID 2807911
4-methyl-3-[(5-methylfuran-3-carbonyl)amino]thiophene-2-carboxylic acid
CID 114915122
methyl 3-[(2-fluoro-3-methylbenzoyl)amino]-4-methylthiophene-2-carboxylate
CID 114915416
methyl 3-[(3-amino-5-bromobenzoyl)amino]-4-methylthiophene-2-carboxylate
CID 114914531
methyl 3-[(2-bromo-4-methylbenzoyl)amino]-4-methylthiophene-2-carboxylate
CID 114915762

Frequently Asked Questions

What is the IUPAC name of methyl 4-methyl-3-[(6-oxopyran-3-carbonyl)amino]thiophene-2-carboxylate?
The IUPAC name of methyl 4-methyl-3-[(6-oxopyran-3-carbonyl)amino]thiophene-2-carboxylate (CID 114916262) is methyl 4-methyl-3-[(6-oxopyran-3-carbonyl)amino]thiophene-2-carboxylate.
What is the SMILES notation for methyl 4-methyl-3-[(6-oxopyran-3-carbonyl)amino]thiophene-2-carboxylate?
The canonical SMILES for methyl 4-methyl-3-[(6-oxopyran-3-carbonyl)amino]thiophene-2-carboxylate is COC(=O)c1scc(C)c1NC(=O)c1ccc(=O)oc1.
What is the InChIKey of methyl 4-methyl-3-[(6-oxopyran-3-carbonyl)amino]thiophene-2-carboxylate?
The InChIKey is LXJOHAXDPBNZRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO5S/c1-7-6-20-11(13(17)18-2)10(7)14-12(16)8-3-4-9(15)19-5-8/h3-6H,1-2H3,(H,14,16).
What are the key properties of methyl 4-methyl-3-[(6-oxopyran-3-carbonyl)amino]thiophene-2-carboxylate?
methyl 4-methyl-3-[(6-oxopyran-3-carbonyl)amino]thiophene-2-carboxylate has a molecular weight of 293.30 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methyl-3-[(6-oxopyran-3-carbonyl)amino]thiophene-2-carboxylate is sourced from PubChem (CID 114916262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).