N-[2-[morpholin-4-yl(pyridin-3-yl)methyl]-1-benzofuran-3-yl]thiophene-2-carboxamide

C23H21N3O3S — CID 46270036

IUPACN-[2-[morpholin-4-yl(pyridin-3-yl)methyl]-1-benzofuran-3-yl]thiophene-2-carboxamide
SMILESO=C(Nc1c(C(c2cccnc2)N2CCOCC2)oc2ccccc12)c1cccs1
InChIInChI=1S/C23H21N3O3S/c27-23(19-8-4-14-30-19)25-20-17-6-1-2-7-18(17)29-22(20)21(16-5-3-9-24-15-16)26-10-12-28-13-11-26/h1-9,14-15,21H,10-13H2,(H,25,27)
InChIKeyVOEVUIPUJWWAIT-UHFFFAOYSA-N
MW419.51 g/mol
LogP4.56
Rot. Bonds5

About N-[2-[morpholin-4-yl(pyridin-3-yl)methyl]-1-benzofuran-3-yl]thiophene-2-carboxamide

N-[2-[morpholin-4-yl(pyridin-3-yl)methyl]-1-benzofuran-3-yl]thiophene-2-carboxamide (PubChem CID 46270036) has the molecular formula C23H21N3O3S and a molecular weight of 419.51 g/mol. Its IUPAC name is N-[2-[morpholin-4-yl(pyridin-3-yl)methyl]-1-benzofuran-3-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[morpholin-4-yl(pyridin-3-yl)methyl]-1-benzofuran-3-yl]thiophene-2-carboxamide
PubChem CID46270036
Molecular FormulaC23H21N3O3S
Molecular Weight419.51 g/mol
Exact Mass419.13
IUPAC NameN-[2-[morpholin-4-yl(pyridin-3-yl)methyl]-1-benzofuran-3-yl]thiophene-2-carboxamide
SMILESO=C(Nc1c(C(c2cccnc2)N2CCOCC2)oc2ccccc12)c1cccs1
InChIInChI=1S/C23H21N3O3S/c27-23(19-8-4-14-30-19)25-20-17-6-1-2-7-18(17)29-22(20)21(16-5-3-9-24-15-16)26-10-12-28-13-11-26/h1-9,14-15,21H,10-13H2,(H,25,27)
InChIKeyVOEVUIPUJWWAIT-UHFFFAOYSA-N
XLogP4.56
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.51
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-[morpholin-4-yl(pyridin-3-yl)methyl]-1-benzofuran-3-yl]thiophene-2-carboxamide?
The IUPAC name of N-[2-[morpholin-4-yl(pyridin-3-yl)methyl]-1-benzofuran-3-yl]thiophene-2-carboxamide (CID 46270036) is N-[2-[morpholin-4-yl(pyridin-3-yl)methyl]-1-benzofuran-3-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-[morpholin-4-yl(pyridin-3-yl)methyl]-1-benzofuran-3-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-[morpholin-4-yl(pyridin-3-yl)methyl]-1-benzofuran-3-yl]thiophene-2-carboxamide is O=C(Nc1c(C(c2cccnc2)N2CCOCC2)oc2ccccc12)c1cccs1.
What is the InChIKey of N-[2-[morpholin-4-yl(pyridin-3-yl)methyl]-1-benzofuran-3-yl]thiophene-2-carboxamide?
The InChIKey is VOEVUIPUJWWAIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O3S/c27-23(19-8-4-14-30-19)25-20-17-6-1-2-7-18(17)29-22(20)21(16-5-3-9-24-15-16)26-10-12-28-13-11-26/h1-9,14-15,21H,10-13H2,(H,25,27).
What are the key properties of N-[2-[morpholin-4-yl(pyridin-3-yl)methyl]-1-benzofuran-3-yl]thiophene-2-carboxamide?
N-[2-[morpholin-4-yl(pyridin-3-yl)methyl]-1-benzofuran-3-yl]thiophene-2-carboxamide has a molecular weight of 419.51 g/mol, XLogP of 4.56, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[morpholin-4-yl(pyridin-3-yl)methyl]-1-benzofuran-3-yl]thiophene-2-carboxamide is sourced from PubChem (CID 46270036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).