ethyl 4-amino-5-carbamoyl-2-[cyclopropylmethyl(ethyl)amino]thiophene-3-carboxylate

C14H21N3O3S — CID 103422466

IUPACethyl 4-amino-5-carbamoyl-2-[cyclopropylmethyl(ethyl)amino]thiophene-3-carboxylate
SMILESCCOC(=O)c1c(N(CC)CC2CC2)sc(C(N)=O)c1N
InChIInChI=1S/C14H21N3O3S/c1-3-17(7-8-5-6-8)13-9(14(19)20-4-2)10(15)11(21-13)12(16)18/h8H,3-7,15H2,1-2H3,(H2,16,18)
InChIKeyFXOSQZYDMQDFOQ-UHFFFAOYSA-N
MW311.41 g/mol
LogP1.84
Rot. Bonds7

About ethyl 4-amino-5-carbamoyl-2-[cyclopropylmethyl(ethyl)amino]thiophene-3-carboxylate

ethyl 4-amino-5-carbamoyl-2-[cyclopropylmethyl(ethyl)amino]thiophene-3-carboxylate (PubChem CID 103422466) has the molecular formula C14H21N3O3S and a molecular weight of 311.41 g/mol. Its IUPAC name is ethyl 4-amino-5-carbamoyl-2-[cyclopropylmethyl(ethyl)amino]thiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-amino-5-carbamoyl-2-[cyclopropylmethyl(ethyl)amino]thiophene-3-carboxylate
PubChem CID103422466
Molecular FormulaC14H21N3O3S
Molecular Weight311.41 g/mol
Exact Mass311.13
IUPAC Nameethyl 4-amino-5-carbamoyl-2-[cyclopropylmethyl(ethyl)amino]thiophene-3-carboxylate
SMILESCCOC(=O)c1c(N(CC)CC2CC2)sc(C(N)=O)c1N
InChIInChI=1S/C14H21N3O3S/c1-3-17(7-8-5-6-8)13-9(14(19)20-4-2)10(15)11(21-13)12(16)18/h8H,3-7,15H2,1-2H3,(H2,16,18)
InChIKeyFXOSQZYDMQDFOQ-UHFFFAOYSA-N
XLogP1.84
TPSA98.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-amino-5-carbamoyl-2-[cyclopropylmethyl(ethyl)amino]thiophene-3-carboxylate?
The IUPAC name of ethyl 4-amino-5-carbamoyl-2-[cyclopropylmethyl(ethyl)amino]thiophene-3-carboxylate (CID 103422466) is ethyl 4-amino-5-carbamoyl-2-[cyclopropylmethyl(ethyl)amino]thiophene-3-carboxylate.
What is the SMILES notation for ethyl 4-amino-5-carbamoyl-2-[cyclopropylmethyl(ethyl)amino]thiophene-3-carboxylate?
The canonical SMILES for ethyl 4-amino-5-carbamoyl-2-[cyclopropylmethyl(ethyl)amino]thiophene-3-carboxylate is CCOC(=O)c1c(N(CC)CC2CC2)sc(C(N)=O)c1N.
What is the InChIKey of ethyl 4-amino-5-carbamoyl-2-[cyclopropylmethyl(ethyl)amino]thiophene-3-carboxylate?
The InChIKey is FXOSQZYDMQDFOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3S/c1-3-17(7-8-5-6-8)13-9(14(19)20-4-2)10(15)11(21-13)12(16)18/h8H,3-7,15H2,1-2H3,(H2,16,18).
What are the key properties of ethyl 4-amino-5-carbamoyl-2-[cyclopropylmethyl(ethyl)amino]thiophene-3-carboxylate?
ethyl 4-amino-5-carbamoyl-2-[cyclopropylmethyl(ethyl)amino]thiophene-3-carboxylate has a molecular weight of 311.41 g/mol, XLogP of 1.84, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-amino-5-carbamoyl-2-[cyclopropylmethyl(ethyl)amino]thiophene-3-carboxylate is sourced from PubChem (CID 103422466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).