ethyl 2-[(2-methoxycyclopropyl)carbamoylamino]-4-methylthiophene-3-carboxylate

C13H18N2O4S — CID 134366435

IUPACethyl 2-[(2-methoxycyclopropyl)carbamoylamino]-4-methylthiophene-3-carboxylate
SMILESCCOC(=O)c1c(C)csc1NC(=O)NC1CC1OC
InChIInChI=1S/C13H18N2O4S/c1-4-19-12(16)10-7(2)6-20-11(10)15-13(17)14-8-5-9(8)18-3/h6,8-9H,4-5H2,1-3H3,(H2,14,15,17)
InChIKeyYOSYXQRXLWPYAB-UHFFFAOYSA-N
MW298.36 g/mol
LogP2.14
Rot. Bonds5

About ethyl 2-[(2-methoxycyclopropyl)carbamoylamino]-4-methylthiophene-3-carboxylate

ethyl 2-[(2-methoxycyclopropyl)carbamoylamino]-4-methylthiophene-3-carboxylate (PubChem CID 134366435) has the molecular formula C13H18N2O4S and a molecular weight of 298.36 g/mol. Its IUPAC name is ethyl 2-[(2-methoxycyclopropyl)carbamoylamino]-4-methylthiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-[(2-methoxycyclopropyl)carbamoylamino]-4-methylthiophene-3-carboxylate
PubChem CID134366435
Molecular FormulaC13H18N2O4S
Molecular Weight298.36 g/mol
Exact Mass298.10
IUPAC Nameethyl 2-[(2-methoxycyclopropyl)carbamoylamino]-4-methylthiophene-3-carboxylate
SMILESCCOC(=O)c1c(C)csc1NC(=O)NC1CC1OC
InChIInChI=1S/C13H18N2O4S/c1-4-19-12(16)10-7(2)6-20-11(10)15-13(17)14-8-5-9(8)18-3/h6,8-9H,4-5H2,1-3H3,(H2,14,15,17)
InChIKeyYOSYXQRXLWPYAB-UHFFFAOYSA-N
XLogP2.14
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-(cyclobutylcarbamoylamino)-4-methylthiophene-3-carboxylate
CID 134366408
ethyl 2-(methoxycarbonylamino)-4-methylthiophene-3-carboxylate
CID 59636673
ethyl 2-(2-ethoxyethylcarbamoylamino)-4-methylthiophene-3-carboxylate
CID 122574677
ethyl 2-[(2-chloroacetyl)amino]-4-methylthiophene-3-carboxylate
CID 2777457
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
methyl 2-[(3-ethoxycarbonylphenyl)carbamoylamino]-4-methylthiophene-3-carboxylate
CID 175896622
ethyl 2-[(2-chlorobenzoyl)amino]-4-methylthiophene-3-carboxylate
CID 2807643
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 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
ethyl 2-[(2,4-dihydroxybenzenecarbothioyl)amino]-4-methylthiophene-3-carboxylate
CID 135471561

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2-methoxycyclopropyl)carbamoylamino]-4-methylthiophene-3-carboxylate?
The IUPAC name of ethyl 2-[(2-methoxycyclopropyl)carbamoylamino]-4-methylthiophene-3-carboxylate (CID 134366435) is ethyl 2-[(2-methoxycyclopropyl)carbamoylamino]-4-methylthiophene-3-carboxylate.
What is the SMILES notation for ethyl 2-[(2-methoxycyclopropyl)carbamoylamino]-4-methylthiophene-3-carboxylate?
The canonical SMILES for ethyl 2-[(2-methoxycyclopropyl)carbamoylamino]-4-methylthiophene-3-carboxylate is CCOC(=O)c1c(C)csc1NC(=O)NC1CC1OC.
What is the InChIKey of ethyl 2-[(2-methoxycyclopropyl)carbamoylamino]-4-methylthiophene-3-carboxylate?
The InChIKey is YOSYXQRXLWPYAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4S/c1-4-19-12(16)10-7(2)6-20-11(10)15-13(17)14-8-5-9(8)18-3/h6,8-9H,4-5H2,1-3H3,(H2,14,15,17).
What are the key properties of ethyl 2-[(2-methoxycyclopropyl)carbamoylamino]-4-methylthiophene-3-carboxylate?
ethyl 2-[(2-methoxycyclopropyl)carbamoylamino]-4-methylthiophene-3-carboxylate has a molecular weight of 298.36 g/mol, XLogP of 2.14, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2-methoxycyclopropyl)carbamoylamino]-4-methylthiophene-3-carboxylate is sourced from PubChem (CID 134366435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).