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

C24H25N3O2S — CID 26341482

IUPACN-[[(2R)-5-(3,6-dimethylpyrazin-2-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
SMILESCc1cnc(C)c(-c2ccc3c(c2)C[C@H](CNC(=O)c2csc4c2CCCC4)O3)n1
InChIInChI=1S/C24H25N3O2S/c1-14-11-25-15(2)23(27-14)16-7-8-21-17(9-16)10-18(29-21)12-26-24(28)20-13-30-22-6-4-3-5-19(20)22/h7-9,11,13,18H,3-6,10,12H2,1-2H3,(H,26,28)/t18-/m1/s1
InChIKeyBJHCRGKTTVSSLJ-GOSISDBHSA-N
MW419.55 g/mol
LogP4.43
Rot. Bonds4

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

N-[[(2R)-5-(3,6-dimethylpyrazin-2-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide (PubChem CID 26341482) has the molecular formula C24H25N3O2S and a molecular weight of 419.55 g/mol. Its IUPAC name is N-[[(2R)-5-(3,6-dimethylpyrazin-2-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide.

Molecular Properties

Compound NameN-[[(2R)-5-(3,6-dimethylpyrazin-2-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
PubChem CID26341482
Molecular FormulaC24H25N3O2S
Molecular Weight419.55 g/mol
Exact Mass419.17
IUPAC NameN-[[(2R)-5-(3,6-dimethylpyrazin-2-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
SMILESCc1cnc(C)c(-c2ccc3c(c2)C[C@H](CNC(=O)c2csc4c2CCCC4)O3)n1
InChIInChI=1S/C24H25N3O2S/c1-14-11-25-15(2)23(27-14)16-7-8-21-17(9-16)10-18(29-21)12-26-24(28)20-13-30-22-6-4-3-5-19(20)22/h7-9,11,13,18H,3-6,10,12H2,1-2H3,(H,26,28)/t18-/m1/s1
InChIKeyBJHCRGKTTVSSLJ-GOSISDBHSA-N
XLogP4.43
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.55
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[(2R)-5-(3,6-dimethylpyrazin-2-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[[(2R)-5-(3,6-dimethylpyrazin-2-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The IUPAC name of N-[[(2R)-5-(3,6-dimethylpyrazin-2-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide (CID 26341482) is N-[[(2R)-5-(3,6-dimethylpyrazin-2-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-[[(2R)-5-(3,6-dimethylpyrazin-2-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The canonical SMILES for N-[[(2R)-5-(3,6-dimethylpyrazin-2-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is Cc1cnc(C)c(-c2ccc3c(c2)C[C@H](CNC(=O)c2csc4c2CCCC4)O3)n1.
What is the InChIKey of N-[[(2R)-5-(3,6-dimethylpyrazin-2-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The InChIKey is BJHCRGKTTVSSLJ-GOSISDBHSA-N. The full InChI is InChI=1S/C24H25N3O2S/c1-14-11-25-15(2)23(27-14)16-7-8-21-17(9-16)10-18(29-21)12-26-24(28)20-13-30-22-6-4-3-5-19(20)22/h7-9,11,13,18H,3-6,10,12H2,1-2H3,(H,26,28)/t18-/m1/s1.
What are the key properties of N-[[(2R)-5-(3,6-dimethylpyrazin-2-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
N-[[(2R)-5-(3,6-dimethylpyrazin-2-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide has a molecular weight of 419.55 g/mol, XLogP of 4.43, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R)-5-(3,6-dimethylpyrazin-2-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is sourced from PubChem (CID 26341482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).