ethyl 2-(2-ethoxyethylcarbamoylamino)-4-methylthiophene-3-carboxylate

C13H20N2O4S — CID 122574677

IUPACethyl 2-(2-ethoxyethylcarbamoylamino)-4-methylthiophene-3-carboxylate
SMILESCCOCCNC(=O)Nc1scc(C)c1C(=O)OCC
InChIInChI=1S/C13H20N2O4S/c1-4-18-7-6-14-13(17)15-11-10(9(3)8-20-11)12(16)19-5-2/h8H,4-7H2,1-3H3,(H2,14,15,17)
InChIKeyZAAPRSMGWWEZAQ-UHFFFAOYSA-N
MW300.38 g/mol
LogP2.39
Rot. Bonds7

About ethyl 2-(2-ethoxyethylcarbamoylamino)-4-methylthiophene-3-carboxylate

ethyl 2-(2-ethoxyethylcarbamoylamino)-4-methylthiophene-3-carboxylate (PubChem CID 122574677) has the molecular formula C13H20N2O4S and a molecular weight of 300.38 g/mol. Its IUPAC name is ethyl 2-(2-ethoxyethylcarbamoylamino)-4-methylthiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-(2-ethoxyethylcarbamoylamino)-4-methylthiophene-3-carboxylate
PubChem CID122574677
Molecular FormulaC13H20N2O4S
Molecular Weight300.38 g/mol
Exact Mass300.11
IUPAC Nameethyl 2-(2-ethoxyethylcarbamoylamino)-4-methylthiophene-3-carboxylate
SMILESCCOCCNC(=O)Nc1scc(C)c1C(=O)OCC
InChIInChI=1S/C13H20N2O4S/c1-4-18-7-6-14-13(17)15-11-10(9(3)8-20-11)12(16)19-5-2/h8H,4-7H2,1-3H3,(H2,14,15,17)
InChIKeyZAAPRSMGWWEZAQ-UHFFFAOYSA-N
XLogP2.39
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-(methoxycarbonylamino)-4-methylthiophene-3-carboxylate
CID 59636673
ethyl 4-methyl-2-(1,1,1-trifluoropropan-2-ylcarbamoylamino)thiophene-3-carboxylate
CID 122574769
ethyl 2-(cyclobutylcarbamoylamino)-4-methylthiophene-3-carboxylate
CID 134366408
ethyl 2-[(2,2-dichloroacetyl)amino]-4-methylthiophene-3-carboxylate
CID 2777458
ethyl 2-[(2-methoxycyclopropyl)carbamoylamino]-4-methylthiophene-3-carboxylate
CID 134366435
ethyl 2-[(2-chlorobenzoyl)amino]-4-methylthiophene-3-carboxylate
CID 2807643
2-(2-ethoxyethylcarbamoylamino)thiophene-3-carboxylic acid
CID 63113875
ethyl 2-[(2,4-dihydroxybenzenecarbothioyl)amino]-4-methylthiophene-3-carboxylate
CID 135471561
ethyl 2-(ethylcarbamoylamino)-4-phenylthiophene-3-carboxylate
CID 19850799
methyl 2-[(3-ethoxycarbonylphenyl)carbamoylamino]-4-methylthiophene-3-carboxylate
CID 175896622
ethyl 4-methyl-2-[[3-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]carbamoylamino]thiophene-3-carboxylate
CID 137451606
ethyl 2-(2,2-dicyanoethenylamino)-4-methylthiophene-3-carboxylate
CID 2807609

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-ethoxyethylcarbamoylamino)-4-methylthiophene-3-carboxylate?
The IUPAC name of ethyl 2-(2-ethoxyethylcarbamoylamino)-4-methylthiophene-3-carboxylate (CID 122574677) is ethyl 2-(2-ethoxyethylcarbamoylamino)-4-methylthiophene-3-carboxylate.
What is the SMILES notation for ethyl 2-(2-ethoxyethylcarbamoylamino)-4-methylthiophene-3-carboxylate?
The canonical SMILES for ethyl 2-(2-ethoxyethylcarbamoylamino)-4-methylthiophene-3-carboxylate is CCOCCNC(=O)Nc1scc(C)c1C(=O)OCC.
What is the InChIKey of ethyl 2-(2-ethoxyethylcarbamoylamino)-4-methylthiophene-3-carboxylate?
The InChIKey is ZAAPRSMGWWEZAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4S/c1-4-18-7-6-14-13(17)15-11-10(9(3)8-20-11)12(16)19-5-2/h8H,4-7H2,1-3H3,(H2,14,15,17).
What are the key properties of ethyl 2-(2-ethoxyethylcarbamoylamino)-4-methylthiophene-3-carboxylate?
ethyl 2-(2-ethoxyethylcarbamoylamino)-4-methylthiophene-3-carboxylate has a molecular weight of 300.38 g/mol, XLogP of 2.39, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-ethoxyethylcarbamoylamino)-4-methylthiophene-3-carboxylate is sourced from PubChem (CID 122574677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).