ethyl 2-amino-5-(dimethylcarbamoyl)-4-(morpholin-4-ylmethyl)thiophene-3-carboxylate

C15H23N3O4S — CID 2451156

IUPACethyl 2-amino-5-(dimethylcarbamoyl)-4-(morpholin-4-ylmethyl)thiophene-3-carboxylate
SMILESCCOC(=O)c1c(N)sc(C(=O)N(C)C)c1CN1CCOCC1
InChIInChI=1S/C15H23N3O4S/c1-4-22-15(20)11-10(9-18-5-7-21-8-6-18)12(23-13(11)16)14(19)17(2)3/h4-9,16H2,1-3H3
InChIKeyLYVMWQXBOGNVNA-UHFFFAOYSA-N
MW341.43 g/mol
LogP1.04
Rot. Bonds5

About ethyl 2-amino-5-(dimethylcarbamoyl)-4-(morpholin-4-ylmethyl)thiophene-3-carboxylate

ethyl 2-amino-5-(dimethylcarbamoyl)-4-(morpholin-4-ylmethyl)thiophene-3-carboxylate (PubChem CID 2451156) has the molecular formula C15H23N3O4S and a molecular weight of 341.43 g/mol. Its IUPAC name is ethyl 2-amino-5-(dimethylcarbamoyl)-4-(morpholin-4-ylmethyl)thiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-amino-5-(dimethylcarbamoyl)-4-(morpholin-4-ylmethyl)thiophene-3-carboxylate
PubChem CID2451156
Molecular FormulaC15H23N3O4S
Molecular Weight341.43 g/mol
Exact Mass341.14
IUPAC Nameethyl 2-amino-5-(dimethylcarbamoyl)-4-(morpholin-4-ylmethyl)thiophene-3-carboxylate
SMILESCCOC(=O)c1c(N)sc(C(=O)N(C)C)c1CN1CCOCC1
InChIInChI=1S/C15H23N3O4S/c1-4-22-15(20)11-10(9-18-5-7-21-8-6-18)12(23-13(11)16)14(19)17(2)3/h4-9,16H2,1-3H3
InChIKeyLYVMWQXBOGNVNA-UHFFFAOYSA-N
XLogP1.04
TPSA85.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.43
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiophene_amino_Aa(45)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-5-(dimethylcarbamoyl)-4-(morpholin-4-ylmethyl)thiophene-3-carboxylate?
The IUPAC name of ethyl 2-amino-5-(dimethylcarbamoyl)-4-(morpholin-4-ylmethyl)thiophene-3-carboxylate (CID 2451156) is ethyl 2-amino-5-(dimethylcarbamoyl)-4-(morpholin-4-ylmethyl)thiophene-3-carboxylate.
What is the SMILES notation for ethyl 2-amino-5-(dimethylcarbamoyl)-4-(morpholin-4-ylmethyl)thiophene-3-carboxylate?
The canonical SMILES for ethyl 2-amino-5-(dimethylcarbamoyl)-4-(morpholin-4-ylmethyl)thiophene-3-carboxylate is CCOC(=O)c1c(N)sc(C(=O)N(C)C)c1CN1CCOCC1.
What is the InChIKey of ethyl 2-amino-5-(dimethylcarbamoyl)-4-(morpholin-4-ylmethyl)thiophene-3-carboxylate?
The InChIKey is LYVMWQXBOGNVNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O4S/c1-4-22-15(20)11-10(9-18-5-7-21-8-6-18)12(23-13(11)16)14(19)17(2)3/h4-9,16H2,1-3H3.
What are the key properties of ethyl 2-amino-5-(dimethylcarbamoyl)-4-(morpholin-4-ylmethyl)thiophene-3-carboxylate?
ethyl 2-amino-5-(dimethylcarbamoyl)-4-(morpholin-4-ylmethyl)thiophene-3-carboxylate has a molecular weight of 341.43 g/mol, XLogP of 1.04, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-5-(dimethylcarbamoyl)-4-(morpholin-4-ylmethyl)thiophene-3-carboxylate is sourced from PubChem (CID 2451156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).