methyl 3-[[2-(ethylamino)-2-methylpropanoyl]amino]thiophene-2-carboxylate

C12H18N2O3S — CID 62836849

IUPACmethyl 3-[[2-(ethylamino)-2-methylpropanoyl]amino]thiophene-2-carboxylate
SMILESCCNC(C)(C)C(=O)Nc1ccsc1C(=O)OC
InChIInChI=1S/C12H18N2O3S/c1-5-13-12(2,3)11(16)14-8-6-7-18-9(8)10(15)17-4/h6-7,13H,5H2,1-4H3,(H,14,16)
InChIKeyHWPWOZCGKTUOKU-UHFFFAOYSA-N
MW270.35 g/mol
LogP1.86
Rot. Bonds5

About methyl 3-[[2-(ethylamino)-2-methylpropanoyl]amino]thiophene-2-carboxylate

methyl 3-[[2-(ethylamino)-2-methylpropanoyl]amino]thiophene-2-carboxylate (PubChem CID 62836849) has the molecular formula C12H18N2O3S and a molecular weight of 270.35 g/mol. Its IUPAC name is methyl 3-[[2-(ethylamino)-2-methylpropanoyl]amino]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[[2-(ethylamino)-2-methylpropanoyl]amino]thiophene-2-carboxylate
PubChem CID62836849
Molecular FormulaC12H18N2O3S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC Namemethyl 3-[[2-(ethylamino)-2-methylpropanoyl]amino]thiophene-2-carboxylate
SMILESCCNC(C)(C)C(=O)Nc1ccsc1C(=O)OC
InChIInChI=1S/C12H18N2O3S/c1-5-13-12(2,3)11(16)14-8-6-7-18-9(8)10(15)17-4/h6-7,13H,5H2,1-4H3,(H,14,16)
InChIKeyHWPWOZCGKTUOKU-UHFFFAOYSA-N
XLogP1.86
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[[2-(ethylamino)-2-methylpropanoyl]amino]thiophene-2-carboxylate?
The IUPAC name of methyl 3-[[2-(ethylamino)-2-methylpropanoyl]amino]thiophene-2-carboxylate (CID 62836849) is methyl 3-[[2-(ethylamino)-2-methylpropanoyl]amino]thiophene-2-carboxylate.
What is the SMILES notation for methyl 3-[[2-(ethylamino)-2-methylpropanoyl]amino]thiophene-2-carboxylate?
The canonical SMILES for methyl 3-[[2-(ethylamino)-2-methylpropanoyl]amino]thiophene-2-carboxylate is CCNC(C)(C)C(=O)Nc1ccsc1C(=O)OC.
What is the InChIKey of methyl 3-[[2-(ethylamino)-2-methylpropanoyl]amino]thiophene-2-carboxylate?
The InChIKey is HWPWOZCGKTUOKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S/c1-5-13-12(2,3)11(16)14-8-6-7-18-9(8)10(15)17-4/h6-7,13H,5H2,1-4H3,(H,14,16).
What are the key properties of methyl 3-[[2-(ethylamino)-2-methylpropanoyl]amino]thiophene-2-carboxylate?
methyl 3-[[2-(ethylamino)-2-methylpropanoyl]amino]thiophene-2-carboxylate has a molecular weight of 270.35 g/mol, XLogP of 1.86, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[2-(ethylamino)-2-methylpropanoyl]amino]thiophene-2-carboxylate is sourced from PubChem (CID 62836849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).