4-(ethylamino)-6,7-dihydro-5H-1-benzothiophene-4-carboxamide

C11H16N2OS — CID 62841107

IUPAC4-(ethylamino)-6,7-dihydro-5H-1-benzothiophene-4-carboxamide
SMILESCCNC1(C(N)=O)CCCc2sccc21
InChIInChI=1S/C11H16N2OS/c1-2-13-11(10(12)14)6-3-4-9-8(11)5-7-15-9/h5,7,13H,2-4,6H2,1H3,(H2,12,14)
InChIKeyARJPVPNPBKNDCW-UHFFFAOYSA-N
MW224.33 g/mol
LogP1.37
Rot. Bonds3

About 4-(ethylamino)-6,7-dihydro-5H-1-benzothiophene-4-carboxamide

4-(ethylamino)-6,7-dihydro-5H-1-benzothiophene-4-carboxamide (PubChem CID 62841107) has the molecular formula C11H16N2OS and a molecular weight of 224.33 g/mol. Its IUPAC name is 4-(ethylamino)-6,7-dihydro-5H-1-benzothiophene-4-carboxamide.

Molecular Properties

Compound Name4-(ethylamino)-6,7-dihydro-5H-1-benzothiophene-4-carboxamide
PubChem CID62841107
Molecular FormulaC11H16N2OS
Molecular Weight224.33 g/mol
Exact Mass224.10
IUPAC Name4-(ethylamino)-6,7-dihydro-5H-1-benzothiophene-4-carboxamide
SMILESCCNC1(C(N)=O)CCCc2sccc21
InChIInChI=1S/C11H16N2OS/c1-2-13-11(10(12)14)6-3-4-9-8(11)5-7-15-9/h5,7,13H,2-4,6H2,1H3,(H2,12,14)
InChIKeyARJPVPNPBKNDCW-UHFFFAOYSA-N
XLogP1.37
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(ethylamino)-6,7-dihydro-5H-1-benzothiophene-4-carboxamide?
The IUPAC name of 4-(ethylamino)-6,7-dihydro-5H-1-benzothiophene-4-carboxamide (CID 62841107) is 4-(ethylamino)-6,7-dihydro-5H-1-benzothiophene-4-carboxamide.
What is the SMILES notation for 4-(ethylamino)-6,7-dihydro-5H-1-benzothiophene-4-carboxamide?
The canonical SMILES for 4-(ethylamino)-6,7-dihydro-5H-1-benzothiophene-4-carboxamide is CCNC1(C(N)=O)CCCc2sccc21.
What is the InChIKey of 4-(ethylamino)-6,7-dihydro-5H-1-benzothiophene-4-carboxamide?
The InChIKey is ARJPVPNPBKNDCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2OS/c1-2-13-11(10(12)14)6-3-4-9-8(11)5-7-15-9/h5,7,13H,2-4,6H2,1H3,(H2,12,14).
What are the key properties of 4-(ethylamino)-6,7-dihydro-5H-1-benzothiophene-4-carboxamide?
4-(ethylamino)-6,7-dihydro-5H-1-benzothiophene-4-carboxamide has a molecular weight of 224.33 g/mol, XLogP of 1.37, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylamino)-6,7-dihydro-5H-1-benzothiophene-4-carboxamide is sourced from PubChem (CID 62841107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).