ethyl 3-amino-5-morpholin-4-ylsulfonyl-1-benzothiophene-2-carboxylate

C15H18N2O5S2 — CID 3237828

IUPACethyl 3-amino-5-morpholin-4-ylsulfonyl-1-benzothiophene-2-carboxylate
SMILESCCOC(=O)c1sc2ccc(S(=O)(=O)N3CCOCC3)cc2c1N
InChIInChI=1S/C15H18N2O5S2/c1-2-22-15(18)14-13(16)11-9-10(3-4-12(11)23-14)24(19,20)17-5-7-21-8-6-17/h3-4,9H,2,5-8,16H2,1H3
InChIKeyZKIKMYFHIHJRPP-UHFFFAOYSA-N
MW370.45 g/mol
LogP1.68
Rot. Bonds4

About ethyl 3-amino-5-morpholin-4-ylsulfonyl-1-benzothiophene-2-carboxylate

ethyl 3-amino-5-morpholin-4-ylsulfonyl-1-benzothiophene-2-carboxylate (PubChem CID 3237828) has the molecular formula C15H18N2O5S2 and a molecular weight of 370.45 g/mol. Its IUPAC name is ethyl 3-amino-5-morpholin-4-ylsulfonyl-1-benzothiophene-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-amino-5-morpholin-4-ylsulfonyl-1-benzothiophene-2-carboxylate
PubChem CID3237828
Molecular FormulaC15H18N2O5S2
Molecular Weight370.45 g/mol
Exact Mass370.07
IUPAC Nameethyl 3-amino-5-morpholin-4-ylsulfonyl-1-benzothiophene-2-carboxylate
SMILESCCOC(=O)c1sc2ccc(S(=O)(=O)N3CCOCC3)cc2c1N
InChIInChI=1S/C15H18N2O5S2/c1-2-22-15(18)14-13(16)11-9-10(3-4-12(11)23-14)24(19,20)17-5-7-21-8-6-17/h3-4,9H,2,5-8,16H2,1H3
InChIKeyZKIKMYFHIHJRPP-UHFFFAOYSA-N
XLogP1.68
TPSA98.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-amino-5-morpholin-4-ylsulfonyl-1-benzothiophene-2-carboxylate?
The IUPAC name of ethyl 3-amino-5-morpholin-4-ylsulfonyl-1-benzothiophene-2-carboxylate (CID 3237828) is ethyl 3-amino-5-morpholin-4-ylsulfonyl-1-benzothiophene-2-carboxylate.
What is the SMILES notation for ethyl 3-amino-5-morpholin-4-ylsulfonyl-1-benzothiophene-2-carboxylate?
The canonical SMILES for ethyl 3-amino-5-morpholin-4-ylsulfonyl-1-benzothiophene-2-carboxylate is CCOC(=O)c1sc2ccc(S(=O)(=O)N3CCOCC3)cc2c1N.
What is the InChIKey of ethyl 3-amino-5-morpholin-4-ylsulfonyl-1-benzothiophene-2-carboxylate?
The InChIKey is ZKIKMYFHIHJRPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O5S2/c1-2-22-15(18)14-13(16)11-9-10(3-4-12(11)23-14)24(19,20)17-5-7-21-8-6-17/h3-4,9H,2,5-8,16H2,1H3.
What are the key properties of ethyl 3-amino-5-morpholin-4-ylsulfonyl-1-benzothiophene-2-carboxylate?
ethyl 3-amino-5-morpholin-4-ylsulfonyl-1-benzothiophene-2-carboxylate has a molecular weight of 370.45 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-amino-5-morpholin-4-ylsulfonyl-1-benzothiophene-2-carboxylate is sourced from PubChem (CID 3237828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).