N-[(7-pyridin-4-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

C23H22N2O2S — CID 45176114

IUPACN-[(7-pyridin-4-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
SMILESO=C(NCC1Cc2cccc(-c3ccncc3)c2O1)c1csc2c1CCCC2
InChIInChI=1S/C23H22N2O2S/c26-23(20-14-28-21-7-2-1-5-19(20)21)25-13-17-12-16-4-3-6-18(22(16)27-17)15-8-10-24-11-9-15/h3-4,6,8-11,14,17H,1-2,5,7,12-13H2,(H,25,26)
InChIKeyAIGURZIJMUKKHV-UHFFFAOYSA-N
MW390.51 g/mol
LogP4.42
Rot. Bonds4

About N-[(7-pyridin-4-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

N-[(7-pyridin-4-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide (PubChem CID 45176114) has the molecular formula C23H22N2O2S and a molecular weight of 390.51 g/mol. Its IUPAC name is N-[(7-pyridin-4-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide.

Molecular Properties

Compound NameN-[(7-pyridin-4-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
PubChem CID45176114
Molecular FormulaC23H22N2O2S
Molecular Weight390.51 g/mol
Exact Mass390.14
IUPAC NameN-[(7-pyridin-4-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
SMILESO=C(NCC1Cc2cccc(-c3ccncc3)c2O1)c1csc2c1CCCC2
InChIInChI=1S/C23H22N2O2S/c26-23(20-14-28-21-7-2-1-5-19(20)21)25-13-17-12-16-4-3-6-18(22(16)27-17)15-8-10-24-11-9-15/h3-4,6,8-11,14,17H,1-2,5,7,12-13H2,(H,25,26)
InChIKeyAIGURZIJMUKKHV-UHFFFAOYSA-N
XLogP4.42
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(7-pyridin-4-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The IUPAC name of N-[(7-pyridin-4-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide (CID 45176114) is N-[(7-pyridin-4-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide.
What is the SMILES notation for N-[(7-pyridin-4-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The canonical SMILES for N-[(7-pyridin-4-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is O=C(NCC1Cc2cccc(-c3ccncc3)c2O1)c1csc2c1CCCC2.
What is the InChIKey of N-[(7-pyridin-4-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The InChIKey is AIGURZIJMUKKHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O2S/c26-23(20-14-28-21-7-2-1-5-19(20)21)25-13-17-12-16-4-3-6-18(22(16)27-17)15-8-10-24-11-9-15/h3-4,6,8-11,14,17H,1-2,5,7,12-13H2,(H,25,26).
What are the key properties of N-[(7-pyridin-4-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
N-[(7-pyridin-4-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide has a molecular weight of 390.51 g/mol, XLogP of 4.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7-pyridin-4-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is sourced from PubChem (CID 45176114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).