N-methyl-4-[4-(2-morpholin-4-ylethylcarbamoyl)phenoxy]thieno[2,3-c]pyridine-2-carboxamide

C22H24N4O4S — CID 11091464

IUPACN-methyl-4-[4-(2-morpholin-4-ylethylcarbamoyl)phenoxy]thieno[2,3-c]pyridine-2-carboxamide
SMILESCNC(=O)c1cc2c(Oc3ccc(C(=O)NCCN4CCOCC4)cc3)cncc2s1
InChIInChI=1S/C22H24N4O4S/c1-23-22(28)19-12-17-18(13-24-14-20(17)31-19)30-16-4-2-15(3-5-16)21(27)25-6-7-26-8-10-29-11-9-26/h2-5,12-14H,6-11H2,1H3,(H,23,28)(H,25,27)
InChIKeyDVPVDMKZGKPWDE-UHFFFAOYSA-N
MW440.53 g/mol
LogP2.51
Rot. Bonds7

About N-methyl-4-[4-(2-morpholin-4-ylethylcarbamoyl)phenoxy]thieno[2,3-c]pyridine-2-carboxamide

N-methyl-4-[4-(2-morpholin-4-ylethylcarbamoyl)phenoxy]thieno[2,3-c]pyridine-2-carboxamide (PubChem CID 11091464) has the molecular formula C22H24N4O4S and a molecular weight of 440.53 g/mol. Its IUPAC name is N-methyl-4-[4-(2-morpholin-4-ylethylcarbamoyl)phenoxy]thieno[2,3-c]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-methyl-4-[4-(2-morpholin-4-ylethylcarbamoyl)phenoxy]thieno[2,3-c]pyridine-2-carboxamide
PubChem CID11091464
Molecular FormulaC22H24N4O4S
Molecular Weight440.53 g/mol
Exact Mass440.15
IUPAC NameN-methyl-4-[4-(2-morpholin-4-ylethylcarbamoyl)phenoxy]thieno[2,3-c]pyridine-2-carboxamide
SMILESCNC(=O)c1cc2c(Oc3ccc(C(=O)NCCN4CCOCC4)cc3)cncc2s1
InChIInChI=1S/C22H24N4O4S/c1-23-22(28)19-12-17-18(13-24-14-20(17)31-19)30-16-4-2-15(3-5-16)21(27)25-6-7-26-8-10-29-11-9-26/h2-5,12-14H,6-11H2,1H3,(H,23,28)(H,25,27)
InChIKeyDVPVDMKZGKPWDE-UHFFFAOYSA-N
XLogP2.51
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.53
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-methyl-4-[4-(2-morpholin-4-ylethylcarbamoyl)phenoxy]thieno[2,3-c]pyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[4-(2-morpholin-4-ylethylcarbamoyl)phenoxy]thieno[2,3-c]pyridine-2-carboxamide?
The IUPAC name of N-methyl-4-[4-(2-morpholin-4-ylethylcarbamoyl)phenoxy]thieno[2,3-c]pyridine-2-carboxamide (CID 11091464) is N-methyl-4-[4-(2-morpholin-4-ylethylcarbamoyl)phenoxy]thieno[2,3-c]pyridine-2-carboxamide.
What is the SMILES notation for N-methyl-4-[4-(2-morpholin-4-ylethylcarbamoyl)phenoxy]thieno[2,3-c]pyridine-2-carboxamide?
The canonical SMILES for N-methyl-4-[4-(2-morpholin-4-ylethylcarbamoyl)phenoxy]thieno[2,3-c]pyridine-2-carboxamide is CNC(=O)c1cc2c(Oc3ccc(C(=O)NCCN4CCOCC4)cc3)cncc2s1.
What is the InChIKey of N-methyl-4-[4-(2-morpholin-4-ylethylcarbamoyl)phenoxy]thieno[2,3-c]pyridine-2-carboxamide?
The InChIKey is DVPVDMKZGKPWDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O4S/c1-23-22(28)19-12-17-18(13-24-14-20(17)31-19)30-16-4-2-15(3-5-16)21(27)25-6-7-26-8-10-29-11-9-26/h2-5,12-14H,6-11H2,1H3,(H,23,28)(H,25,27).
What are the key properties of N-methyl-4-[4-(2-morpholin-4-ylethylcarbamoyl)phenoxy]thieno[2,3-c]pyridine-2-carboxamide?
N-methyl-4-[4-(2-morpholin-4-ylethylcarbamoyl)phenoxy]thieno[2,3-c]pyridine-2-carboxamide has a molecular weight of 440.53 g/mol, XLogP of 2.51, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[4-(2-morpholin-4-ylethylcarbamoyl)phenoxy]thieno[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 11091464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).