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

C24H34N4O5S — CID 3205641

IUPACN'-(2-methoxyethyl)-N'-[1-(4-methoxyphenyl)-2-(3-methylbutylamino)-2-oxoethyl]-N-(1,3-thiazol-2-yl)butanediamide
SMILESCOCCN(C(=O)CCC(=O)Nc1nccs1)C(C(=O)NCCC(C)C)c1ccc(OC)cc1
InChIInChI=1S/C24H34N4O5S/c1-17(2)11-12-25-23(31)22(18-5-7-19(33-4)8-6-18)28(14-15-32-3)21(30)10-9-20(29)27-24-26-13-16-34-24/h5-8,13,16-17,22H,9-12,14-15H2,1-4H3,(H,25,31)(H,26,27,29)
InChIKeyATLVOPZAMXTCAL-UHFFFAOYSA-N
MW490.63 g/mol
LogP3.25
Rot. Bonds14

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

N'-(2-methoxyethyl)-N'-[1-(4-methoxyphenyl)-2-(3-methylbutylamino)-2-oxoethyl]-N-(1,3-thiazol-2-yl)butanediamide (PubChem CID 3205641) has the molecular formula C24H34N4O5S and a molecular weight of 490.63 g/mol. Its IUPAC name is N'-(2-methoxyethyl)-N'-[1-(4-methoxyphenyl)-2-(3-methylbutylamino)-2-oxoethyl]-N-(1,3-thiazol-2-yl)butanediamide.

Molecular Properties

Compound NameN'-(2-methoxyethyl)-N'-[1-(4-methoxyphenyl)-2-(3-methylbutylamino)-2-oxoethyl]-N-(1,3-thiazol-2-yl)butanediamide
PubChem CID3205641
Molecular FormulaC24H34N4O5S
Molecular Weight490.63 g/mol
Exact Mass490.22
IUPAC NameN'-(2-methoxyethyl)-N'-[1-(4-methoxyphenyl)-2-(3-methylbutylamino)-2-oxoethyl]-N-(1,3-thiazol-2-yl)butanediamide
SMILESCOCCN(C(=O)CCC(=O)Nc1nccs1)C(C(=O)NCCC(C)C)c1ccc(OC)cc1
InChIInChI=1S/C24H34N4O5S/c1-17(2)11-12-25-23(31)22(18-5-7-19(33-4)8-6-18)28(14-15-32-3)21(30)10-9-20(29)27-24-26-13-16-34-24/h5-8,13,16-17,22H,9-12,14-15H2,1-4H3,(H,25,31)(H,26,27,29)
InChIKeyATLVOPZAMXTCAL-UHFFFAOYSA-N
XLogP3.25
TPSA109.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds14
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.63
LogP ≤ 53.25
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'-[1-(4-methoxyphenyl)-2-(3-methylbutylamino)-2-oxoethyl]-N-(1,3-thiazol-2-yl)butanediamide?
The IUPAC name of N'-(2-methoxyethyl)-N'-[1-(4-methoxyphenyl)-2-(3-methylbutylamino)-2-oxoethyl]-N-(1,3-thiazol-2-yl)butanediamide (CID 3205641) is N'-(2-methoxyethyl)-N'-[1-(4-methoxyphenyl)-2-(3-methylbutylamino)-2-oxoethyl]-N-(1,3-thiazol-2-yl)butanediamide.
What is the SMILES notation for N'-(2-methoxyethyl)-N'-[1-(4-methoxyphenyl)-2-(3-methylbutylamino)-2-oxoethyl]-N-(1,3-thiazol-2-yl)butanediamide?
The canonical SMILES for N'-(2-methoxyethyl)-N'-[1-(4-methoxyphenyl)-2-(3-methylbutylamino)-2-oxoethyl]-N-(1,3-thiazol-2-yl)butanediamide is COCCN(C(=O)CCC(=O)Nc1nccs1)C(C(=O)NCCC(C)C)c1ccc(OC)cc1.
What is the InChIKey of N'-(2-methoxyethyl)-N'-[1-(4-methoxyphenyl)-2-(3-methylbutylamino)-2-oxoethyl]-N-(1,3-thiazol-2-yl)butanediamide?
The InChIKey is ATLVOPZAMXTCAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N4O5S/c1-17(2)11-12-25-23(31)22(18-5-7-19(33-4)8-6-18)28(14-15-32-3)21(30)10-9-20(29)27-24-26-13-16-34-24/h5-8,13,16-17,22H,9-12,14-15H2,1-4H3,(H,25,31)(H,26,27,29).
What are the key properties of N'-(2-methoxyethyl)-N'-[1-(4-methoxyphenyl)-2-(3-methylbutylamino)-2-oxoethyl]-N-(1,3-thiazol-2-yl)butanediamide?
N'-(2-methoxyethyl)-N'-[1-(4-methoxyphenyl)-2-(3-methylbutylamino)-2-oxoethyl]-N-(1,3-thiazol-2-yl)butanediamide has a molecular weight of 490.63 g/mol, XLogP of 3.25, 14 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-methoxyethyl)-N'-[1-(4-methoxyphenyl)-2-(3-methylbutylamino)-2-oxoethyl]-N-(1,3-thiazol-2-yl)butanediamide is sourced from PubChem (CID 3205641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).