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

C24H23N3O4S — CID 86290325

IUPACN,N-diethyl-7-[3-[(3-methylfuran-2-carbonyl)amino]phenoxy]thieno[3,2-b]pyridine-2-carboxamide
SMILESCCN(CC)C(=O)c1cc2nccc(Oc3cccc(NC(=O)c4occc4C)c3)c2s1
InChIInChI=1S/C24H23N3O4S/c1-4-27(5-2)24(29)20-14-18-22(32-20)19(9-11-25-18)31-17-8-6-7-16(13-17)26-23(28)21-15(3)10-12-30-21/h6-14H,4-5H2,1-3H3,(H,26,28)
InChIKeyDSQRVMBFBBVGRP-UHFFFAOYSA-N
MW449.53 g/mol
LogP5.72
Rot. Bonds7

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

N,N-diethyl-7-[3-[(3-methylfuran-2-carbonyl)amino]phenoxy]thieno[3,2-b]pyridine-2-carboxamide (PubChem CID 86290325) has the molecular formula C24H23N3O4S and a molecular weight of 449.53 g/mol. Its IUPAC name is N,N-diethyl-7-[3-[(3-methylfuran-2-carbonyl)amino]phenoxy]thieno[3,2-b]pyridine-2-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-7-[3-[(3-methylfuran-2-carbonyl)amino]phenoxy]thieno[3,2-b]pyridine-2-carboxamide
PubChem CID86290325
Molecular FormulaC24H23N3O4S
Molecular Weight449.53 g/mol
Exact Mass449.14
IUPAC NameN,N-diethyl-7-[3-[(3-methylfuran-2-carbonyl)amino]phenoxy]thieno[3,2-b]pyridine-2-carboxamide
SMILESCCN(CC)C(=O)c1cc2nccc(Oc3cccc(NC(=O)c4occc4C)c3)c2s1
InChIInChI=1S/C24H23N3O4S/c1-4-27(5-2)24(29)20-14-18-22(32-20)19(9-11-25-18)31-17-8-6-7-16(13-17)26-23(28)21-15(3)10-12-30-21/h6-14H,4-5H2,1-3H3,(H,26,28)
InChIKeyDSQRVMBFBBVGRP-UHFFFAOYSA-N
XLogP5.72
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.53
LogP ≤ 55.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-7-[3-[(3-methylfuran-2-carbonyl)amino]phenoxy]thieno[3,2-b]pyridine-2-carboxamide?
The IUPAC name of N,N-diethyl-7-[3-[(3-methylfuran-2-carbonyl)amino]phenoxy]thieno[3,2-b]pyridine-2-carboxamide (CID 86290325) is N,N-diethyl-7-[3-[(3-methylfuran-2-carbonyl)amino]phenoxy]thieno[3,2-b]pyridine-2-carboxamide.
What is the SMILES notation for N,N-diethyl-7-[3-[(3-methylfuran-2-carbonyl)amino]phenoxy]thieno[3,2-b]pyridine-2-carboxamide?
The canonical SMILES for N,N-diethyl-7-[3-[(3-methylfuran-2-carbonyl)amino]phenoxy]thieno[3,2-b]pyridine-2-carboxamide is CCN(CC)C(=O)c1cc2nccc(Oc3cccc(NC(=O)c4occc4C)c3)c2s1.
What is the InChIKey of N,N-diethyl-7-[3-[(3-methylfuran-2-carbonyl)amino]phenoxy]thieno[3,2-b]pyridine-2-carboxamide?
The InChIKey is DSQRVMBFBBVGRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O4S/c1-4-27(5-2)24(29)20-14-18-22(32-20)19(9-11-25-18)31-17-8-6-7-16(13-17)26-23(28)21-15(3)10-12-30-21/h6-14H,4-5H2,1-3H3,(H,26,28).
What are the key properties of N,N-diethyl-7-[3-[(3-methylfuran-2-carbonyl)amino]phenoxy]thieno[3,2-b]pyridine-2-carboxamide?
N,N-diethyl-7-[3-[(3-methylfuran-2-carbonyl)amino]phenoxy]thieno[3,2-b]pyridine-2-carboxamide has a molecular weight of 449.53 g/mol, XLogP of 5.72, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-7-[3-[(3-methylfuran-2-carbonyl)amino]phenoxy]thieno[3,2-b]pyridine-2-carboxamide is sourced from PubChem (CID 86290325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).