3-amino-N-(1-cyclopropylethyl)-6-methoxy-1-benzothiophene-2-carboxamide

C15H18N2O2S — CID 81309556

IUPAC3-amino-N-(1-cyclopropylethyl)-6-methoxy-1-benzothiophene-2-carboxamide
SMILESCOc1ccc2c(N)c(C(=O)NC(C)C3CC3)sc2c1
InChIInChI=1S/C15H18N2O2S/c1-8(9-3-4-9)17-15(18)14-13(16)11-6-5-10(19-2)7-12(11)20-14/h5-9H,3-4,16H2,1-2H3,(H,17,18)
InChIKeyUNFBZXJVNSZSSP-UHFFFAOYSA-N
MW290.39 g/mol
LogP3.02
Rot. Bonds4

About 3-amino-N-(1-cyclopropylethyl)-6-methoxy-1-benzothiophene-2-carboxamide

3-amino-N-(1-cyclopropylethyl)-6-methoxy-1-benzothiophene-2-carboxamide (PubChem CID 81309556) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is 3-amino-N-(1-cyclopropylethyl)-6-methoxy-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-(1-cyclopropylethyl)-6-methoxy-1-benzothiophene-2-carboxamide
PubChem CID81309556
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC Name3-amino-N-(1-cyclopropylethyl)-6-methoxy-1-benzothiophene-2-carboxamide
SMILESCOc1ccc2c(N)c(C(=O)NC(C)C3CC3)sc2c1
InChIInChI=1S/C15H18N2O2S/c1-8(9-3-4-9)17-15(18)14-13(16)11-6-5-10(19-2)7-12(11)20-14/h5-9H,3-4,16H2,1-2H3,(H,17,18)
InChIKeyUNFBZXJVNSZSSP-UHFFFAOYSA-N
XLogP3.02
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(1-cyclopropylethyl)-6-methoxy-1-benzothiophene-2-carboxamide?
The IUPAC name of 3-amino-N-(1-cyclopropylethyl)-6-methoxy-1-benzothiophene-2-carboxamide (CID 81309556) is 3-amino-N-(1-cyclopropylethyl)-6-methoxy-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 3-amino-N-(1-cyclopropylethyl)-6-methoxy-1-benzothiophene-2-carboxamide?
The canonical SMILES for 3-amino-N-(1-cyclopropylethyl)-6-methoxy-1-benzothiophene-2-carboxamide is COc1ccc2c(N)c(C(=O)NC(C)C3CC3)sc2c1.
What is the InChIKey of 3-amino-N-(1-cyclopropylethyl)-6-methoxy-1-benzothiophene-2-carboxamide?
The InChIKey is UNFBZXJVNSZSSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S/c1-8(9-3-4-9)17-15(18)14-13(16)11-6-5-10(19-2)7-12(11)20-14/h5-9H,3-4,16H2,1-2H3,(H,17,18).
What are the key properties of 3-amino-N-(1-cyclopropylethyl)-6-methoxy-1-benzothiophene-2-carboxamide?
3-amino-N-(1-cyclopropylethyl)-6-methoxy-1-benzothiophene-2-carboxamide has a molecular weight of 290.39 g/mol, XLogP of 3.02, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(1-cyclopropylethyl)-6-methoxy-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 81309556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).