N-(2-hydroxyethyl)-7-[3-[(3-methylfuran-2-carbonyl)amino]phenoxy]thieno[3,2-b]pyridine-2-carboxamide

C22H19N3O5S — CID 86290369

IUPACN-(2-hydroxyethyl)-7-[3-[(3-methylfuran-2-carbonyl)amino]phenoxy]thieno[3,2-b]pyridine-2-carboxamide
SMILESCc1ccoc1C(=O)Nc1cccc(Oc2ccnc3cc(C(=O)NCCO)sc23)c1
InChIInChI=1S/C22H19N3O5S/c1-13-6-10-29-19(13)22(28)25-14-3-2-4-15(11-14)30-17-5-7-23-16-12-18(31-20(16)17)21(27)24-8-9-26/h2-7,10-12,26H,8-9H2,1H3,(H,24,27)(H,25,28)
InChIKeyKRCSTYGGYWYVFM-UHFFFAOYSA-N
MW437.48 g/mol
LogP3.96
Rot. Bonds7

About N-(2-hydroxyethyl)-7-[3-[(3-methylfuran-2-carbonyl)amino]phenoxy]thieno[3,2-b]pyridine-2-carboxamide

N-(2-hydroxyethyl)-7-[3-[(3-methylfuran-2-carbonyl)amino]phenoxy]thieno[3,2-b]pyridine-2-carboxamide (PubChem CID 86290369) has the molecular formula C22H19N3O5S and a molecular weight of 437.48 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-7-[3-[(3-methylfuran-2-carbonyl)amino]phenoxy]thieno[3,2-b]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-7-[3-[(3-methylfuran-2-carbonyl)amino]phenoxy]thieno[3,2-b]pyridine-2-carboxamide
PubChem CID86290369
Molecular FormulaC22H19N3O5S
Molecular Weight437.48 g/mol
Exact Mass437.10
IUPAC NameN-(2-hydroxyethyl)-7-[3-[(3-methylfuran-2-carbonyl)amino]phenoxy]thieno[3,2-b]pyridine-2-carboxamide
SMILESCc1ccoc1C(=O)Nc1cccc(Oc2ccnc3cc(C(=O)NCCO)sc23)c1
InChIInChI=1S/C22H19N3O5S/c1-13-6-10-29-19(13)22(28)25-14-3-2-4-15(11-14)30-17-5-7-23-16-12-18(31-20(16)17)21(27)24-8-9-26/h2-7,10-12,26H,8-9H2,1H3,(H,24,27)(H,25,28)
InChIKeyKRCSTYGGYWYVFM-UHFFFAOYSA-N
XLogP3.96
TPSA113.69 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.48
LogP ≤ 53.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-7-[3-[(3-methylfuran-2-carbonyl)amino]phenoxy]thieno[3,2-b]pyridine-2-carboxamide?
The IUPAC name of N-(2-hydroxyethyl)-7-[3-[(3-methylfuran-2-carbonyl)amino]phenoxy]thieno[3,2-b]pyridine-2-carboxamide (CID 86290369) is N-(2-hydroxyethyl)-7-[3-[(3-methylfuran-2-carbonyl)amino]phenoxy]thieno[3,2-b]pyridine-2-carboxamide.
What is the SMILES notation for N-(2-hydroxyethyl)-7-[3-[(3-methylfuran-2-carbonyl)amino]phenoxy]thieno[3,2-b]pyridine-2-carboxamide?
The canonical SMILES for N-(2-hydroxyethyl)-7-[3-[(3-methylfuran-2-carbonyl)amino]phenoxy]thieno[3,2-b]pyridine-2-carboxamide is Cc1ccoc1C(=O)Nc1cccc(Oc2ccnc3cc(C(=O)NCCO)sc23)c1.
What is the InChIKey of N-(2-hydroxyethyl)-7-[3-[(3-methylfuran-2-carbonyl)amino]phenoxy]thieno[3,2-b]pyridine-2-carboxamide?
The InChIKey is KRCSTYGGYWYVFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O5S/c1-13-6-10-29-19(13)22(28)25-14-3-2-4-15(11-14)30-17-5-7-23-16-12-18(31-20(16)17)21(27)24-8-9-26/h2-7,10-12,26H,8-9H2,1H3,(H,24,27)(H,25,28).
What are the key properties of N-(2-hydroxyethyl)-7-[3-[(3-methylfuran-2-carbonyl)amino]phenoxy]thieno[3,2-b]pyridine-2-carboxamide?
N-(2-hydroxyethyl)-7-[3-[(3-methylfuran-2-carbonyl)amino]phenoxy]thieno[3,2-b]pyridine-2-carboxamide has a molecular weight of 437.48 g/mol, XLogP of 3.96, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-7-[3-[(3-methylfuran-2-carbonyl)amino]phenoxy]thieno[3,2-b]pyridine-2-carboxamide is sourced from PubChem (CID 86290369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).