N-methyl-2-[2-[[[2-(5-methylthiophen-2-yl)-2-morpholin-4-ylethyl]amino]methyl]phenoxy]acetamide

C21H29N3O3S — CID 86903292

IUPACN-methyl-2-[2-[[[2-(5-methylthiophen-2-yl)-2-morpholin-4-ylethyl]amino]methyl]phenoxy]acetamide
SMILESCNC(=O)COc1ccccc1CNCC(c1ccc(C)s1)N1CCOCC1
InChIInChI=1S/C21H29N3O3S/c1-16-7-8-20(28-16)18(24-9-11-26-12-10-24)14-23-13-17-5-3-4-6-19(17)27-15-21(25)22-2/h3-8,18,23H,9-15H2,1-2H3,(H,22,25)
InChIKeyRBFWTEWABUUECE-UHFFFAOYSA-N
MW403.55 g/mol
LogP2.34
Rot. Bonds9

About N-methyl-2-[2-[[[2-(5-methylthiophen-2-yl)-2-morpholin-4-ylethyl]amino]methyl]phenoxy]acetamide

N-methyl-2-[2-[[[2-(5-methylthiophen-2-yl)-2-morpholin-4-ylethyl]amino]methyl]phenoxy]acetamide (PubChem CID 86903292) has the molecular formula C21H29N3O3S and a molecular weight of 403.55 g/mol. Its IUPAC name is N-methyl-2-[2-[[[2-(5-methylthiophen-2-yl)-2-morpholin-4-ylethyl]amino]methyl]phenoxy]acetamide.

Molecular Properties

Compound NameN-methyl-2-[2-[[[2-(5-methylthiophen-2-yl)-2-morpholin-4-ylethyl]amino]methyl]phenoxy]acetamide
PubChem CID86903292
Molecular FormulaC21H29N3O3S
Molecular Weight403.55 g/mol
Exact Mass403.19
IUPAC NameN-methyl-2-[2-[[[2-(5-methylthiophen-2-yl)-2-morpholin-4-ylethyl]amino]methyl]phenoxy]acetamide
SMILESCNC(=O)COc1ccccc1CNCC(c1ccc(C)s1)N1CCOCC1
InChIInChI=1S/C21H29N3O3S/c1-16-7-8-20(28-16)18(24-9-11-26-12-10-24)14-23-13-17-5-3-4-6-19(17)27-15-21(25)22-2/h3-8,18,23H,9-15H2,1-2H3,(H,22,25)
InChIKeyRBFWTEWABUUECE-UHFFFAOYSA-N
XLogP2.34
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.55
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[2-[[[2-(5-methylthiophen-2-yl)-2-morpholin-4-ylethyl]amino]methyl]phenoxy]acetamide?
The IUPAC name of N-methyl-2-[2-[[[2-(5-methylthiophen-2-yl)-2-morpholin-4-ylethyl]amino]methyl]phenoxy]acetamide (CID 86903292) is N-methyl-2-[2-[[[2-(5-methylthiophen-2-yl)-2-morpholin-4-ylethyl]amino]methyl]phenoxy]acetamide.
What is the SMILES notation for N-methyl-2-[2-[[[2-(5-methylthiophen-2-yl)-2-morpholin-4-ylethyl]amino]methyl]phenoxy]acetamide?
The canonical SMILES for N-methyl-2-[2-[[[2-(5-methylthiophen-2-yl)-2-morpholin-4-ylethyl]amino]methyl]phenoxy]acetamide is CNC(=O)COc1ccccc1CNCC(c1ccc(C)s1)N1CCOCC1.
What is the InChIKey of N-methyl-2-[2-[[[2-(5-methylthiophen-2-yl)-2-morpholin-4-ylethyl]amino]methyl]phenoxy]acetamide?
The InChIKey is RBFWTEWABUUECE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O3S/c1-16-7-8-20(28-16)18(24-9-11-26-12-10-24)14-23-13-17-5-3-4-6-19(17)27-15-21(25)22-2/h3-8,18,23H,9-15H2,1-2H3,(H,22,25).
What are the key properties of N-methyl-2-[2-[[[2-(5-methylthiophen-2-yl)-2-morpholin-4-ylethyl]amino]methyl]phenoxy]acetamide?
N-methyl-2-[2-[[[2-(5-methylthiophen-2-yl)-2-morpholin-4-ylethyl]amino]methyl]phenoxy]acetamide has a molecular weight of 403.55 g/mol, XLogP of 2.34, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[2-[[[2-(5-methylthiophen-2-yl)-2-morpholin-4-ylethyl]amino]methyl]phenoxy]acetamide is sourced from PubChem (CID 86903292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).