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

C13H18N2O3S — CID 134366408

IUPACethyl 2-(cyclobutylcarbamoylamino)-4-methylthiophene-3-carboxylate
SMILESCCOC(=O)c1c(C)csc1NC(=O)NC1CCC1
InChIInChI=1S/C13H18N2O3S/c1-3-18-12(16)10-8(2)7-19-11(10)15-13(17)14-9-5-4-6-9/h7,9H,3-6H2,1-2H3,(H2,14,15,17)
InChIKeyZEUMTIVLEYPGOO-UHFFFAOYSA-N
MW282.37 g/mol
LogP2.91
Rot. Bonds4

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

ethyl 2-(cyclobutylcarbamoylamino)-4-methylthiophene-3-carboxylate (PubChem CID 134366408) has the molecular formula C13H18N2O3S and a molecular weight of 282.37 g/mol. Its IUPAC name is ethyl 2-(cyclobutylcarbamoylamino)-4-methylthiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-(cyclobutylcarbamoylamino)-4-methylthiophene-3-carboxylate
PubChem CID134366408
Molecular FormulaC13H18N2O3S
Molecular Weight282.37 g/mol
Exact Mass282.10
IUPAC Nameethyl 2-(cyclobutylcarbamoylamino)-4-methylthiophene-3-carboxylate
SMILESCCOC(=O)c1c(C)csc1NC(=O)NC1CCC1
InChIInChI=1S/C13H18N2O3S/c1-3-18-12(16)10-8(2)7-19-11(10)15-13(17)14-9-5-4-6-9/h7,9H,3-6H2,1-2H3,(H2,14,15,17)
InChIKeyZEUMTIVLEYPGOO-UHFFFAOYSA-N
XLogP2.91
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[(2-methoxycyclopropyl)carbamoylamino]-4-methylthiophene-3-carboxylate
CID 134366435
ethyl 2-(methoxycarbonylamino)-4-methylthiophene-3-carboxylate
CID 59636673
ethyl 2-(2-ethoxyethylcarbamoylamino)-4-methylthiophene-3-carboxylate
CID 122574677
diethyl 5-(cyclohexylcarbamoylamino)-3-methylthiophene-2,4-dicarboxylate
CID 28693670
ethyl 2-[(2-chloroacetyl)amino]-4-methylthiophene-3-carboxylate
CID 2777457
ethyl 2-(cyclobutylcarbamoylamino)-5-ethylthiophene-3-carboxylate
CID 116658706
ethyl 4-methyl-2-(1,1,1-trifluoropropan-2-ylcarbamoylamino)thiophene-3-carboxylate
CID 122574769
ethyl 2-[(2,2-dichloroacetyl)amino]-4-methylthiophene-3-carboxylate
CID 2777458
ethyl 2-[[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]amino]-4-methylthiophene-3-carboxylate
CID 124614156
ethyl 2-[(2-chlorobenzoyl)amino]-4-methylthiophene-3-carboxylate
CID 2807643
methyl 5-(cyclopropylcarbamoylamino)-4-methylthiophene-3-carboxylate
CID 154751859
diethyl 2-(cyclohexylcarbamoylamino)-5-methylfuran-3,4-dicarboxylate
CID 108782631

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(cyclobutylcarbamoylamino)-4-methylthiophene-3-carboxylate?
The IUPAC name of ethyl 2-(cyclobutylcarbamoylamino)-4-methylthiophene-3-carboxylate (CID 134366408) is ethyl 2-(cyclobutylcarbamoylamino)-4-methylthiophene-3-carboxylate.
What is the SMILES notation for ethyl 2-(cyclobutylcarbamoylamino)-4-methylthiophene-3-carboxylate?
The canonical SMILES for ethyl 2-(cyclobutylcarbamoylamino)-4-methylthiophene-3-carboxylate is CCOC(=O)c1c(C)csc1NC(=O)NC1CCC1.
What is the InChIKey of ethyl 2-(cyclobutylcarbamoylamino)-4-methylthiophene-3-carboxylate?
The InChIKey is ZEUMTIVLEYPGOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3S/c1-3-18-12(16)10-8(2)7-19-11(10)15-13(17)14-9-5-4-6-9/h7,9H,3-6H2,1-2H3,(H2,14,15,17).
What are the key properties of ethyl 2-(cyclobutylcarbamoylamino)-4-methylthiophene-3-carboxylate?
ethyl 2-(cyclobutylcarbamoylamino)-4-methylthiophene-3-carboxylate has a molecular weight of 282.37 g/mol, XLogP of 2.91, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(cyclobutylcarbamoylamino)-4-methylthiophene-3-carboxylate is sourced from PubChem (CID 134366408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).