5-methoxy-N-methyl-3-propan-2-yloxy-1-benzothiophene-2-carboxamide

C14H17NO3S — CID 10107659

IUPAC5-methoxy-N-methyl-3-propan-2-yloxy-1-benzothiophene-2-carboxamide
SMILESCNC(=O)c1sc2ccc(OC)cc2c1OC(C)C
InChIInChI=1S/C14H17NO3S/c1-8(2)18-12-10-7-9(17-4)5-6-11(10)19-13(12)14(16)15-3/h5-8H,1-4H3,(H,15,16)
InChIKeyWYKYJHPEZJYREM-UHFFFAOYSA-N
MW279.36 g/mol
LogP3.06
Rot. Bonds4

About 5-methoxy-N-methyl-3-propan-2-yloxy-1-benzothiophene-2-carboxamide

5-methoxy-N-methyl-3-propan-2-yloxy-1-benzothiophene-2-carboxamide (PubChem CID 10107659) has the molecular formula C14H17NO3S and a molecular weight of 279.36 g/mol. Its IUPAC name is 5-methoxy-N-methyl-3-propan-2-yloxy-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name5-methoxy-N-methyl-3-propan-2-yloxy-1-benzothiophene-2-carboxamide
PubChem CID10107659
Molecular FormulaC14H17NO3S
Molecular Weight279.36 g/mol
Exact Mass279.09
IUPAC Name5-methoxy-N-methyl-3-propan-2-yloxy-1-benzothiophene-2-carboxamide
SMILESCNC(=O)c1sc2ccc(OC)cc2c1OC(C)C
InChIInChI=1S/C14H17NO3S/c1-8(2)18-12-10-7-9(17-4)5-6-11(10)19-13(12)14(16)15-3/h5-8H,1-4H3,(H,15,16)
InChIKeyWYKYJHPEZJYREM-UHFFFAOYSA-N
XLogP3.06
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-N-methyl-3-propan-2-yloxy-1-benzothiophene-2-carboxamide?
The IUPAC name of 5-methoxy-N-methyl-3-propan-2-yloxy-1-benzothiophene-2-carboxamide (CID 10107659) is 5-methoxy-N-methyl-3-propan-2-yloxy-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 5-methoxy-N-methyl-3-propan-2-yloxy-1-benzothiophene-2-carboxamide?
The canonical SMILES for 5-methoxy-N-methyl-3-propan-2-yloxy-1-benzothiophene-2-carboxamide is CNC(=O)c1sc2ccc(OC)cc2c1OC(C)C.
What is the InChIKey of 5-methoxy-N-methyl-3-propan-2-yloxy-1-benzothiophene-2-carboxamide?
The InChIKey is WYKYJHPEZJYREM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3S/c1-8(2)18-12-10-7-9(17-4)5-6-11(10)19-13(12)14(16)15-3/h5-8H,1-4H3,(H,15,16).
What are the key properties of 5-methoxy-N-methyl-3-propan-2-yloxy-1-benzothiophene-2-carboxamide?
5-methoxy-N-methyl-3-propan-2-yloxy-1-benzothiophene-2-carboxamide has a molecular weight of 279.36 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-N-methyl-3-propan-2-yloxy-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 10107659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).