N'-(2-methoxyethyl)-N'-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-N-(1,3-thiazol-2-yl)butanediamide

C20H26N4O5S — CID 644600

IUPACN'-(2-methoxyethyl)-N'-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-N-(1,3-thiazol-2-yl)butanediamide
SMILESCOCCN(CC(=O)NCc1ccc(OC)cc1)C(=O)CCC(=O)Nc1nccs1
InChIInChI=1S/C20H26N4O5S/c1-28-11-10-24(19(27)8-7-17(25)23-20-21-9-12-30-20)14-18(26)22-13-15-3-5-16(29-2)6-4-15/h3-6,9,12H,7-8,10-11,13-14H2,1-2H3,(H,22,26)(H,21,23,25)
InChIKeyAZSGVIIXYCAABD-UHFFFAOYSA-N
MW434.52 g/mol
LogP1.66
Rot. Bonds12

About N'-(2-methoxyethyl)-N'-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-N-(1,3-thiazol-2-yl)butanediamide

N'-(2-methoxyethyl)-N'-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-N-(1,3-thiazol-2-yl)butanediamide (PubChem CID 644600) has the molecular formula C20H26N4O5S and a molecular weight of 434.52 g/mol. Its IUPAC name is N'-(2-methoxyethyl)-N'-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-N-(1,3-thiazol-2-yl)butanediamide.

Molecular Properties

Compound NameN'-(2-methoxyethyl)-N'-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-N-(1,3-thiazol-2-yl)butanediamide
PubChem CID644600
Molecular FormulaC20H26N4O5S
Molecular Weight434.52 g/mol
Exact Mass434.16
IUPAC NameN'-(2-methoxyethyl)-N'-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-N-(1,3-thiazol-2-yl)butanediamide
SMILESCOCCN(CC(=O)NCc1ccc(OC)cc1)C(=O)CCC(=O)Nc1nccs1
InChIInChI=1S/C20H26N4O5S/c1-28-11-10-24(19(27)8-7-17(25)23-20-21-9-12-30-20)14-18(26)22-13-15-3-5-16(29-2)6-4-15/h3-6,9,12H,7-8,10-11,13-14H2,1-2H3,(H,22,26)(H,21,23,25)
InChIKeyAZSGVIIXYCAABD-UHFFFAOYSA-N
XLogP1.66
TPSA109.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.52
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N'-(2-methoxyethyl)-N'-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-N-(1,3-thiazol-2-yl)butanediamide?
The IUPAC name of N'-(2-methoxyethyl)-N'-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-N-(1,3-thiazol-2-yl)butanediamide (CID 644600) is N'-(2-methoxyethyl)-N'-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-N-(1,3-thiazol-2-yl)butanediamide.
What is the SMILES notation for N'-(2-methoxyethyl)-N'-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-N-(1,3-thiazol-2-yl)butanediamide?
The canonical SMILES for N'-(2-methoxyethyl)-N'-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-N-(1,3-thiazol-2-yl)butanediamide is COCCN(CC(=O)NCc1ccc(OC)cc1)C(=O)CCC(=O)Nc1nccs1.
What is the InChIKey of N'-(2-methoxyethyl)-N'-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-N-(1,3-thiazol-2-yl)butanediamide?
The InChIKey is AZSGVIIXYCAABD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O5S/c1-28-11-10-24(19(27)8-7-17(25)23-20-21-9-12-30-20)14-18(26)22-13-15-3-5-16(29-2)6-4-15/h3-6,9,12H,7-8,10-11,13-14H2,1-2H3,(H,22,26)(H,21,23,25).
What are the key properties of N'-(2-methoxyethyl)-N'-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-N-(1,3-thiazol-2-yl)butanediamide?
N'-(2-methoxyethyl)-N'-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-N-(1,3-thiazol-2-yl)butanediamide has a molecular weight of 434.52 g/mol, XLogP of 1.66, 12 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-methoxyethyl)-N'-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-N-(1,3-thiazol-2-yl)butanediamide is sourced from PubChem (CID 644600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).