N'-[2-(2-methoxyethylamino)-2-oxoethyl]-N'-(2-methoxyphenyl)-N-(1,3-thiazol-2-yl)butanediamide

C19H24N4O5S — CID 649228

IUPACN'-[2-(2-methoxyethylamino)-2-oxoethyl]-N'-(2-methoxyphenyl)-N-(1,3-thiazol-2-yl)butanediamide
SMILESCOCCNC(=O)CN(C(=O)CCC(=O)Nc1nccs1)c1ccccc1OC
InChIInChI=1S/C19H24N4O5S/c1-27-11-9-20-17(25)13-23(14-5-3-4-6-15(14)28-2)18(26)8-7-16(24)22-19-21-10-12-29-19/h3-6,10,12H,7-9,11,13H2,1-2H3,(H,20,25)(H,21,22,24)
InChIKeyQSRGPNPKXYHFSO-UHFFFAOYSA-N
MW420.49 g/mol
LogP1.67
Rot. Bonds11

About N'-[2-(2-methoxyethylamino)-2-oxoethyl]-N'-(2-methoxyphenyl)-N-(1,3-thiazol-2-yl)butanediamide

N'-[2-(2-methoxyethylamino)-2-oxoethyl]-N'-(2-methoxyphenyl)-N-(1,3-thiazol-2-yl)butanediamide (PubChem CID 649228) has the molecular formula C19H24N4O5S and a molecular weight of 420.49 g/mol. Its IUPAC name is N'-[2-(2-methoxyethylamino)-2-oxoethyl]-N'-(2-methoxyphenyl)-N-(1,3-thiazol-2-yl)butanediamide.

Molecular Properties

Compound NameN'-[2-(2-methoxyethylamino)-2-oxoethyl]-N'-(2-methoxyphenyl)-N-(1,3-thiazol-2-yl)butanediamide
PubChem CID649228
Molecular FormulaC19H24N4O5S
Molecular Weight420.49 g/mol
Exact Mass420.15
IUPAC NameN'-[2-(2-methoxyethylamino)-2-oxoethyl]-N'-(2-methoxyphenyl)-N-(1,3-thiazol-2-yl)butanediamide
SMILESCOCCNC(=O)CN(C(=O)CCC(=O)Nc1nccs1)c1ccccc1OC
InChIInChI=1S/C19H24N4O5S/c1-27-11-9-20-17(25)13-23(14-5-3-4-6-15(14)28-2)18(26)8-7-16(24)22-19-21-10-12-29-19/h3-6,10,12H,7-9,11,13H2,1-2H3,(H,20,25)(H,21,22,24)
InChIKeyQSRGPNPKXYHFSO-UHFFFAOYSA-N
XLogP1.67
TPSA109.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.49
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[2-(2-methoxyethylamino)-2-oxoethyl]-N'-(2-methoxyphenyl)-N-(1,3-thiazol-2-yl)butanediamide?
The IUPAC name of N'-[2-(2-methoxyethylamino)-2-oxoethyl]-N'-(2-methoxyphenyl)-N-(1,3-thiazol-2-yl)butanediamide (CID 649228) is N'-[2-(2-methoxyethylamino)-2-oxoethyl]-N'-(2-methoxyphenyl)-N-(1,3-thiazol-2-yl)butanediamide.
What is the SMILES notation for N'-[2-(2-methoxyethylamino)-2-oxoethyl]-N'-(2-methoxyphenyl)-N-(1,3-thiazol-2-yl)butanediamide?
The canonical SMILES for N'-[2-(2-methoxyethylamino)-2-oxoethyl]-N'-(2-methoxyphenyl)-N-(1,3-thiazol-2-yl)butanediamide is COCCNC(=O)CN(C(=O)CCC(=O)Nc1nccs1)c1ccccc1OC.
What is the InChIKey of N'-[2-(2-methoxyethylamino)-2-oxoethyl]-N'-(2-methoxyphenyl)-N-(1,3-thiazol-2-yl)butanediamide?
The InChIKey is QSRGPNPKXYHFSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O5S/c1-27-11-9-20-17(25)13-23(14-5-3-4-6-15(14)28-2)18(26)8-7-16(24)22-19-21-10-12-29-19/h3-6,10,12H,7-9,11,13H2,1-2H3,(H,20,25)(H,21,22,24).
What are the key properties of N'-[2-(2-methoxyethylamino)-2-oxoethyl]-N'-(2-methoxyphenyl)-N-(1,3-thiazol-2-yl)butanediamide?
N'-[2-(2-methoxyethylamino)-2-oxoethyl]-N'-(2-methoxyphenyl)-N-(1,3-thiazol-2-yl)butanediamide has a molecular weight of 420.49 g/mol, XLogP of 1.67, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2-methoxyethylamino)-2-oxoethyl]-N'-(2-methoxyphenyl)-N-(1,3-thiazol-2-yl)butanediamide is sourced from PubChem (CID 649228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).