ethyl 2-formamido-4-(2-methylpropyl)thiophene-3-carboxylate

C12H17NO3S — CID 759953

IUPACethyl 2-formamido-4-(2-methylpropyl)thiophene-3-carboxylate
SMILESCCOC(=O)c1c(CC(C)C)csc1NC=O
InChIInChI=1S/C12H17NO3S/c1-4-16-12(15)10-9(5-8(2)3)6-17-11(10)13-7-14/h6-8H,4-5H2,1-3H3,(H,13,14)
InChIKeyQBOGNXYNFGASOG-UHFFFAOYSA-N
MW255.34 g/mol
LogP2.69
Rot. Bonds6

About ethyl 2-formamido-4-(2-methylpropyl)thiophene-3-carboxylate

ethyl 2-formamido-4-(2-methylpropyl)thiophene-3-carboxylate (PubChem CID 759953) has the molecular formula C12H17NO3S and a molecular weight of 255.34 g/mol. Its IUPAC name is ethyl 2-formamido-4-(2-methylpropyl)thiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-formamido-4-(2-methylpropyl)thiophene-3-carboxylate
PubChem CID759953
Molecular FormulaC12H17NO3S
Molecular Weight255.34 g/mol
Exact Mass255.09
IUPAC Nameethyl 2-formamido-4-(2-methylpropyl)thiophene-3-carboxylate
SMILESCCOC(=O)c1c(CC(C)C)csc1NC=O
InChIInChI=1S/C12H17NO3S/c1-4-16-12(15)10-9(5-8(2)3)6-17-11(10)13-7-14/h6-8H,4-5H2,1-3H3,(H,13,14)
InChIKeyQBOGNXYNFGASOG-UHFFFAOYSA-N
XLogP2.69
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-formamido-4-(2-methylpropyl)thiophene-3-carboxylate?
The IUPAC name of ethyl 2-formamido-4-(2-methylpropyl)thiophene-3-carboxylate (CID 759953) is ethyl 2-formamido-4-(2-methylpropyl)thiophene-3-carboxylate.
What is the SMILES notation for ethyl 2-formamido-4-(2-methylpropyl)thiophene-3-carboxylate?
The canonical SMILES for ethyl 2-formamido-4-(2-methylpropyl)thiophene-3-carboxylate is CCOC(=O)c1c(CC(C)C)csc1NC=O.
What is the InChIKey of ethyl 2-formamido-4-(2-methylpropyl)thiophene-3-carboxylate?
The InChIKey is QBOGNXYNFGASOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3S/c1-4-16-12(15)10-9(5-8(2)3)6-17-11(10)13-7-14/h6-8H,4-5H2,1-3H3,(H,13,14).
What are the key properties of ethyl 2-formamido-4-(2-methylpropyl)thiophene-3-carboxylate?
ethyl 2-formamido-4-(2-methylpropyl)thiophene-3-carboxylate has a molecular weight of 255.34 g/mol, XLogP of 2.69, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-formamido-4-(2-methylpropyl)thiophene-3-carboxylate is sourced from PubChem (CID 759953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).