ethyl 2-[carbamoyl(ethyl)amino]thiophene-3-carboxylate

C10H14N2O3S — CID 54007787

IUPACethyl 2-[carbamoyl(ethyl)amino]thiophene-3-carboxylate
SMILESCCOC(=O)c1ccsc1N(CC)C(N)=O
InChIInChI=1S/C10H14N2O3S/c1-3-12(10(11)14)8-7(5-6-16-8)9(13)15-4-2/h5-6H,3-4H2,1-2H3,(H2,11,14)
InChIKeyKQCNZYWSIPQVHC-UHFFFAOYSA-N
MW242.30 g/mol
LogP1.83
Rot. Bonds4

About ethyl 2-[carbamoyl(ethyl)amino]thiophene-3-carboxylate

ethyl 2-[carbamoyl(ethyl)amino]thiophene-3-carboxylate (PubChem CID 54007787) has the molecular formula C10H14N2O3S and a molecular weight of 242.30 g/mol. Its IUPAC name is ethyl 2-[carbamoyl(ethyl)amino]thiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-[carbamoyl(ethyl)amino]thiophene-3-carboxylate
PubChem CID54007787
Molecular FormulaC10H14N2O3S
Molecular Weight242.30 g/mol
Exact Mass242.07
IUPAC Nameethyl 2-[carbamoyl(ethyl)amino]thiophene-3-carboxylate
SMILESCCOC(=O)c1ccsc1N(CC)C(N)=O
InChIInChI=1S/C10H14N2O3S/c1-3-12(10(11)14)8-7(5-6-16-8)9(13)15-4-2/h5-6H,3-4H2,1-2H3,(H2,11,14)
InChIKeyKQCNZYWSIPQVHC-UHFFFAOYSA-N
XLogP1.83
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-arsanylthiophene-3-carboxylate
CID 173196725
ethyl 2-(furan-2-yl)thiophene-3-carboxylate
CID 10376255
ethyl 2-[[2-(N-ethylanilino)acetyl]amino]thiophene-3-carboxylate
CID 60512305
ethyl 2-(2,2-dicyanoethenyl)thiophene-3-carboxylate
CID 170872032
ethyl 2-(sulfamoylamino)thiophene-3-carboxylate
CID 112573422
ethyl 2-(2-hydroxyethoxycarbonylamino)thiophene-3-carboxylate
CID 79345757
ethyl 2-(3-chloropropanoylamino)thiophene-3-carboxylate
CID 43236535
ethyl 2-(3-bromopropanoylamino)thiophene-3-carboxylate
CID 115571598
ethyl 2-[[2-(propylamino)acetyl]amino]thiophene-3-carboxylate
CID 60703501
ethyl 4-chloro-1-benzothiophene-5-carboxylate
CID 23511308
4,8-bis(ethoxycarbonyl)naphthalene-1,5-dicarboxylic acid
CID 54479928
3-(1-ethoxyethenyl)thiophene-2-carboxylic acid
CID 151827123

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[carbamoyl(ethyl)amino]thiophene-3-carboxylate?
The IUPAC name of ethyl 2-[carbamoyl(ethyl)amino]thiophene-3-carboxylate (CID 54007787) is ethyl 2-[carbamoyl(ethyl)amino]thiophene-3-carboxylate.
What is the SMILES notation for ethyl 2-[carbamoyl(ethyl)amino]thiophene-3-carboxylate?
The canonical SMILES for ethyl 2-[carbamoyl(ethyl)amino]thiophene-3-carboxylate is CCOC(=O)c1ccsc1N(CC)C(N)=O.
What is the InChIKey of ethyl 2-[carbamoyl(ethyl)amino]thiophene-3-carboxylate?
The InChIKey is KQCNZYWSIPQVHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3S/c1-3-12(10(11)14)8-7(5-6-16-8)9(13)15-4-2/h5-6H,3-4H2,1-2H3,(H2,11,14).
What are the key properties of ethyl 2-[carbamoyl(ethyl)amino]thiophene-3-carboxylate?
ethyl 2-[carbamoyl(ethyl)amino]thiophene-3-carboxylate has a molecular weight of 242.30 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[carbamoyl(ethyl)amino]thiophene-3-carboxylate is sourced from PubChem (CID 54007787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).