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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Related Compounds

2-[[2-(6-Methyl-1-benzofuran-3-yl)acetyl]amino]thiophene-3-carboxamide
CID 2115913
2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 2469541
Ethyl 2-{[(6-methyl-1-benzofuran-3-yl)acetyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 16012877
methyl 2-{[(6-methyl-1-benzofuran-3-yl)acetyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
CID 16012906
ethyl 2-{[(4,6-dimethyl-1-benzofuran-3-yl)acetyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
CID 16012992
methyl 2-({[5-(propan-2-yl)-1-benzofuran-3-yl]acetyl}amino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
CID 16012829
N-ethyl-2-{[(5-ethyl-1-benzofuran-3-yl)acetyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 16012928
2-benzo[e][1]benzofuran-1-yl-N-(thiophen-2-ylmethyl)acetamide
CID 2117229
2-(6-methyl-1-benzofuran-3-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 2675116
2-{[(6,7-dimethyl-1-benzofuran-3-yl)acetyl]amino}-N-(3-methoxypropyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 16012837
N-methyl-2-{[(5-methyl-1-benzofuran-3-yl)acetyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 16012864
Methyl 2-{[(6-methyl-1-benzofuran-3-yl)acetyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 16012878

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).