ethyl 2-[(4-aminooxane-4-carbonyl)amino]-5-methylthiophene-3-carboxylate

C14H20N2O4S — CID 115294920

IUPACethyl 2-[(4-aminooxane-4-carbonyl)amino]-5-methylthiophene-3-carboxylate
SMILESCCOC(=O)c1cc(C)sc1NC(=O)C1(N)CCOCC1
InChIInChI=1S/C14H20N2O4S/c1-3-20-12(17)10-8-9(2)21-11(10)16-13(18)14(15)4-6-19-7-5-14/h8H,3-7,15H2,1-2H3,(H,16,18)
InChIKeyWMZNVODMVDHEMZ-UHFFFAOYSA-N
MW312.39 g/mol
LogP1.68
Rot. Bonds4

About ethyl 2-[(4-aminooxane-4-carbonyl)amino]-5-methylthiophene-3-carboxylate

ethyl 2-[(4-aminooxane-4-carbonyl)amino]-5-methylthiophene-3-carboxylate (PubChem CID 115294920) has the molecular formula C14H20N2O4S and a molecular weight of 312.39 g/mol. Its IUPAC name is ethyl 2-[(4-aminooxane-4-carbonyl)amino]-5-methylthiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-[(4-aminooxane-4-carbonyl)amino]-5-methylthiophene-3-carboxylate
PubChem CID115294920
Molecular FormulaC14H20N2O4S
Molecular Weight312.39 g/mol
Exact Mass312.11
IUPAC Nameethyl 2-[(4-aminooxane-4-carbonyl)amino]-5-methylthiophene-3-carboxylate
SMILESCCOC(=O)c1cc(C)sc1NC(=O)C1(N)CCOCC1
InChIInChI=1S/C14H20N2O4S/c1-3-20-12(17)10-8-9(2)21-11(10)16-13(18)14(15)4-6-19-7-5-14/h8H,3-7,15H2,1-2H3,(H,16,18)
InChIKeyWMZNVODMVDHEMZ-UHFFFAOYSA-N
XLogP1.68
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-[(1-aminocyclopropanecarbonyl)amino]-5-methylthiophene-3-carboxylate
CID 65457704
ethyl 2-[(2-aminoacetyl)amino]-5-methylthiophene-3-carboxylate
CID 63619076
ethyl 2-[(2-amino-2-methylpropanoyl)amino]-5-methylthiophene-3-carboxylate
CID 63618036
ethyl 2-(2,3-dihydro-1,4-dioxine-5-carbonylamino)-5-methylthiophene-3-carboxylate
CID 60793830
ethyl 5-methyl-2-(pyrrolidine-1-carbonylamino)thiophene-3-carboxylate
CID 79161946
ethyl 2-[(3-hydroxybenzoyl)amino]-5-methylthiophene-3-carboxylate
CID 63616683
ethyl 5-methyl-2-(propylcarbamoylamino)thiophene-3-carboxylate
CID 63616856
4-[(3-ethoxycarbonyl-5-methylthiophen-2-yl)amino]-4-oxobutanoic acid
CID 831651
ethyl 5-methyl-2-(piperidine-1-carbonylamino)thiophene-3-carboxylate
CID 79155647
ethyl 2-[(2,4-diamino-4-oxobutanoyl)amino]-5-methylthiophene-3-carboxylate
CID 63616688
ethyl 2-[(5-chlorofuran-2-carbonyl)amino]-5-methylthiophene-3-carboxylate
CID 60794401
ethyl 2-(2-bromobutanoylamino)-5-methylthiophene-3-carboxylate
CID 63617193

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(4-aminooxane-4-carbonyl)amino]-5-methylthiophene-3-carboxylate?
The IUPAC name of ethyl 2-[(4-aminooxane-4-carbonyl)amino]-5-methylthiophene-3-carboxylate (CID 115294920) is ethyl 2-[(4-aminooxane-4-carbonyl)amino]-5-methylthiophene-3-carboxylate.
What is the SMILES notation for ethyl 2-[(4-aminooxane-4-carbonyl)amino]-5-methylthiophene-3-carboxylate?
The canonical SMILES for ethyl 2-[(4-aminooxane-4-carbonyl)amino]-5-methylthiophene-3-carboxylate is CCOC(=O)c1cc(C)sc1NC(=O)C1(N)CCOCC1.
What is the InChIKey of ethyl 2-[(4-aminooxane-4-carbonyl)amino]-5-methylthiophene-3-carboxylate?
The InChIKey is WMZNVODMVDHEMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4S/c1-3-20-12(17)10-8-9(2)21-11(10)16-13(18)14(15)4-6-19-7-5-14/h8H,3-7,15H2,1-2H3,(H,16,18).
What are the key properties of ethyl 2-[(4-aminooxane-4-carbonyl)amino]-5-methylthiophene-3-carboxylate?
ethyl 2-[(4-aminooxane-4-carbonyl)amino]-5-methylthiophene-3-carboxylate has a molecular weight of 312.39 g/mol, XLogP of 1.68, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(4-aminooxane-4-carbonyl)amino]-5-methylthiophene-3-carboxylate is sourced from PubChem (CID 115294920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).