2-[[2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetyl]amino]thiophene-3-carboxamide

C19H20N2O3S — CID 2125709

IUPAC2-[[2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetyl]amino]thiophene-3-carboxamide
SMILESCc1cc2occ(CC(=O)Nc3sccc3C(N)=O)c2cc1C(C)C
InChIInChI=1S/C19H20N2O3S/c1-10(2)14-8-15-12(9-24-16(15)6-11(14)3)7-17(22)21-19-13(18(20)23)4-5-25-19/h4-6,8-10H,7H2,1-3H3,(H2,20,23)(H,21,22)
InChIKeyOXAAZPDMFFOWAP-UHFFFAOYSA-N
MW356.45 g/mol
LogP4.21
Rot. Bonds5

About 2-[[2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetyl]amino]thiophene-3-carboxamide

2-[[2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetyl]amino]thiophene-3-carboxamide (PubChem CID 2125709) has the molecular formula C19H20N2O3S and a molecular weight of 356.45 g/mol. Its IUPAC name is 2-[[2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetyl]amino]thiophene-3-carboxamide.

Molecular Properties

Compound Name2-[[2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetyl]amino]thiophene-3-carboxamide
PubChem CID2125709
Molecular FormulaC19H20N2O3S
Molecular Weight356.45 g/mol
Exact Mass356.12
IUPAC Name2-[[2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetyl]amino]thiophene-3-carboxamide
SMILESCc1cc2occ(CC(=O)Nc3sccc3C(N)=O)c2cc1C(C)C
InChIInChI=1S/C19H20N2O3S/c1-10(2)14-8-15-12(9-24-16(15)6-11(14)3)7-17(22)21-19-13(18(20)23)4-5-25-19/h4-6,8-10H,7H2,1-3H3,(H2,20,23)(H,21,22)
InChIKeyOXAAZPDMFFOWAP-UHFFFAOYSA-N
XLogP4.21
TPSA85.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetyl]amino]thiophene-3-carboxamide?
The IUPAC name of 2-[[2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetyl]amino]thiophene-3-carboxamide (CID 2125709) is 2-[[2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetyl]amino]thiophene-3-carboxamide.
What is the SMILES notation for 2-[[2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetyl]amino]thiophene-3-carboxamide?
The canonical SMILES for 2-[[2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetyl]amino]thiophene-3-carboxamide is Cc1cc2occ(CC(=O)Nc3sccc3C(N)=O)c2cc1C(C)C.
What is the InChIKey of 2-[[2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetyl]amino]thiophene-3-carboxamide?
The InChIKey is OXAAZPDMFFOWAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3S/c1-10(2)14-8-15-12(9-24-16(15)6-11(14)3)7-17(22)21-19-13(18(20)23)4-5-25-19/h4-6,8-10H,7H2,1-3H3,(H2,20,23)(H,21,22).
What are the key properties of 2-[[2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetyl]amino]thiophene-3-carboxamide?
2-[[2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetyl]amino]thiophene-3-carboxamide has a molecular weight of 356.45 g/mol, XLogP of 4.21, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetyl]amino]thiophene-3-carboxamide is sourced from PubChem (CID 2125709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).