5-ethoxy-N-[1-(3H-imidazo[4,5-c]pyridin-2-yl)-3-methylsulfanylpropyl]-3-methyl-1-benzofuran-2-carboxamide

C22H24N4O3S — CID 54580795

IUPAC5-ethoxy-N-[1-(3H-imidazo[4,5-c]pyridin-2-yl)-3-methylsulfanylpropyl]-3-methyl-1-benzofuran-2-carboxamide
SMILESCCOc1ccc2oc(C(=O)NC(CCSC)c3nc4ccncc4[nH]3)c(C)c2c1
InChIInChI=1S/C22H24N4O3S/c1-4-28-14-5-6-19-15(11-14)13(2)20(29-19)22(27)26-17(8-10-30-3)21-24-16-7-9-23-12-18(16)25-21/h5-7,9,11-12,17H,4,8,10H2,1-3H3,(H,24,25)(H,26,27)
InChIKeyMDIXZEBSCHRVDY-UHFFFAOYSA-N
MW424.53 g/mol
LogP4.64
Rot. Bonds8

About 5-ethoxy-N-[1-(3H-imidazo[4,5-c]pyridin-2-yl)-3-methylsulfanylpropyl]-3-methyl-1-benzofuran-2-carboxamide

5-ethoxy-N-[1-(3H-imidazo[4,5-c]pyridin-2-yl)-3-methylsulfanylpropyl]-3-methyl-1-benzofuran-2-carboxamide (PubChem CID 54580795) has the molecular formula C22H24N4O3S and a molecular weight of 424.53 g/mol. Its IUPAC name is 5-ethoxy-N-[1-(3H-imidazo[4,5-c]pyridin-2-yl)-3-methylsulfanylpropyl]-3-methyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-ethoxy-N-[1-(3H-imidazo[4,5-c]pyridin-2-yl)-3-methylsulfanylpropyl]-3-methyl-1-benzofuran-2-carboxamide
PubChem CID54580795
Molecular FormulaC22H24N4O3S
Molecular Weight424.53 g/mol
Exact Mass424.16
IUPAC Name5-ethoxy-N-[1-(3H-imidazo[4,5-c]pyridin-2-yl)-3-methylsulfanylpropyl]-3-methyl-1-benzofuran-2-carboxamide
SMILESCCOc1ccc2oc(C(=O)NC(CCSC)c3nc4ccncc4[nH]3)c(C)c2c1
InChIInChI=1S/C22H24N4O3S/c1-4-28-14-5-6-19-15(11-14)13(2)20(29-19)22(27)26-17(8-10-30-3)21-24-16-7-9-23-12-18(16)25-21/h5-7,9,11-12,17H,4,8,10H2,1-3H3,(H,24,25)(H,26,27)
InChIKeyMDIXZEBSCHRVDY-UHFFFAOYSA-N
XLogP4.64
TPSA93.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.53
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-N-[1-(3H-imidazo[4,5-c]pyridin-2-yl)-3-methylsulfanylpropyl]-3-methyl-1-benzofuran-2-carboxamide?
The IUPAC name of 5-ethoxy-N-[1-(3H-imidazo[4,5-c]pyridin-2-yl)-3-methylsulfanylpropyl]-3-methyl-1-benzofuran-2-carboxamide (CID 54580795) is 5-ethoxy-N-[1-(3H-imidazo[4,5-c]pyridin-2-yl)-3-methylsulfanylpropyl]-3-methyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-ethoxy-N-[1-(3H-imidazo[4,5-c]pyridin-2-yl)-3-methylsulfanylpropyl]-3-methyl-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-ethoxy-N-[1-(3H-imidazo[4,5-c]pyridin-2-yl)-3-methylsulfanylpropyl]-3-methyl-1-benzofuran-2-carboxamide is CCOc1ccc2oc(C(=O)NC(CCSC)c3nc4ccncc4[nH]3)c(C)c2c1.
What is the InChIKey of 5-ethoxy-N-[1-(3H-imidazo[4,5-c]pyridin-2-yl)-3-methylsulfanylpropyl]-3-methyl-1-benzofuran-2-carboxamide?
The InChIKey is MDIXZEBSCHRVDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3S/c1-4-28-14-5-6-19-15(11-14)13(2)20(29-19)22(27)26-17(8-10-30-3)21-24-16-7-9-23-12-18(16)25-21/h5-7,9,11-12,17H,4,8,10H2,1-3H3,(H,24,25)(H,26,27).
What are the key properties of 5-ethoxy-N-[1-(3H-imidazo[4,5-c]pyridin-2-yl)-3-methylsulfanylpropyl]-3-methyl-1-benzofuran-2-carboxamide?
5-ethoxy-N-[1-(3H-imidazo[4,5-c]pyridin-2-yl)-3-methylsulfanylpropyl]-3-methyl-1-benzofuran-2-carboxamide has a molecular weight of 424.53 g/mol, XLogP of 4.64, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-N-[1-(3H-imidazo[4,5-c]pyridin-2-yl)-3-methylsulfanylpropyl]-3-methyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 54580795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).