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

C24H34N4O5S — CID 3205555

IUPACN'-(2-methoxyethyl)-N'-[1-(4-methoxyphenyl)-2-(2-methylbutan-2-ylamino)-2-oxoethyl]-N-(1,3-thiazol-2-yl)butanediamide
SMILESCCC(C)(C)NC(=O)C(c1ccc(OC)cc1)N(CCOC)C(=O)CCC(=O)Nc1nccs1
InChIInChI=1S/C24H34N4O5S/c1-6-24(2,3)27-22(31)21(17-7-9-18(33-5)10-8-17)28(14-15-32-4)20(30)12-11-19(29)26-23-25-13-16-34-23/h7-10,13,16,21H,6,11-12,14-15H2,1-5H3,(H,27,31)(H,25,26,29)
InChIKeyKLQAUYADWJRUER-UHFFFAOYSA-N
MW490.63 g/mol
LogP3.39
Rot. Bonds13

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

N'-(2-methoxyethyl)-N'-[1-(4-methoxyphenyl)-2-(2-methylbutan-2-ylamino)-2-oxoethyl]-N-(1,3-thiazol-2-yl)butanediamide (PubChem CID 3205555) 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-(2-methylbutan-2-ylamino)-2-oxoethyl]-N-(1,3-thiazol-2-yl)butanediamide.

Molecular Properties

Compound NameN'-(2-methoxyethyl)-N'-[1-(4-methoxyphenyl)-2-(2-methylbutan-2-ylamino)-2-oxoethyl]-N-(1,3-thiazol-2-yl)butanediamide
PubChem CID3205555
Molecular FormulaC24H34N4O5S
Molecular Weight490.63 g/mol
Exact Mass490.22
IUPAC NameN'-(2-methoxyethyl)-N'-[1-(4-methoxyphenyl)-2-(2-methylbutan-2-ylamino)-2-oxoethyl]-N-(1,3-thiazol-2-yl)butanediamide
SMILESCCC(C)(C)NC(=O)C(c1ccc(OC)cc1)N(CCOC)C(=O)CCC(=O)Nc1nccs1
InChIInChI=1S/C24H34N4O5S/c1-6-24(2,3)27-22(31)21(17-7-9-18(33-5)10-8-17)28(14-15-32-4)20(30)12-11-19(29)26-23-25-13-16-34-23/h7-10,13,16,21H,6,11-12,14-15H2,1-5H3,(H,27,31)(H,25,26,29)
InChIKeyKLQAUYADWJRUER-UHFFFAOYSA-N
XLogP3.39
TPSA109.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.63
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(5S)-5-[[(2R,3S)-3-[formyl(hydroxy)amino]-2-(2-methylpropyl)hexanoyl]amino]-6-oxo-6-(1,3-thiazol-2-ylamino)hexyl]-3-methoxybenzamide
CID 44531136
2-(4-methoxyphenyl)-N-(1,3-thiazol-2-yl)acetamide
CID 770967
N-{[(Furan-2-ylmethyl)-carbamoyl]-methyl}-N-(4-methoxy-benzyl)-N'-thiazol-2-yl-succinamide
CID 651341
N-[(4-Fluoro-phenyl)-(2-methoxy-ethylcarbamoyl)-methyl]-N-furan-2-ylmethyl-N'-thiazol-2-yl-succinamide
CID 656031
N-(4-Methoxy-benzyl)-N-[(4-methoxy-benzylcarbamoyl)-methyl]-N'-thiazol-2-yl-succinamide
CID 3205335
N-[(4-Fluoro-benzylcarbamoyl)-methyl]-N-(4-methoxy-benzyl)-N'-thiazol-2-yl-succinamide
CID 3205365
N'-(2-fluorophenyl)-N'-[1-(4-methoxyphenyl)-2-oxo-2-(propan-2-ylamino)ethyl]-N-(1,3-thiazol-2-yl)butanediamide
CID 3205481
N'-[2-(tert-butylamino)-1-(4-hydroxyphenyl)-2-oxoethyl]-N'-(3-methylphenyl)-N-(1,3-thiazol-2-yl)butanediamide
CID 3205494
N'-[2-(tert-butylamino)-1-(4-hydroxyphenyl)-2-oxoethyl]-N'-(3-fluorophenyl)-N-(1,3-thiazol-2-yl)butanediamide
CID 3205540
3-Methoxy-N-[1-(thiazol-2-ylcarbamoylmethyl)-piperidin-4-yl]-benzamide
CID 3220977
N-[(2S)-1-[[(2S)-6-amino-1-[[(1R)-2-amino-2-oxo-1-(4-phenylmethoxyphenyl)ethyl]amino]-1-oxohexan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-1,3-thiazole-2-carboxamide
CID 127037700
3-acetyl-4-hydroxy-2-(4-methoxyphenyl)-1-(1,3-thiazol-2-yl)-2H-pyrrol-5-one
CID 2890485

Frequently Asked Questions

What is the IUPAC name of N'-(2-methoxyethyl)-N'-[1-(4-methoxyphenyl)-2-(2-methylbutan-2-ylamino)-2-oxoethyl]-N-(1,3-thiazol-2-yl)butanediamide?
The IUPAC name of N'-(2-methoxyethyl)-N'-[1-(4-methoxyphenyl)-2-(2-methylbutan-2-ylamino)-2-oxoethyl]-N-(1,3-thiazol-2-yl)butanediamide (CID 3205555) is N'-(2-methoxyethyl)-N'-[1-(4-methoxyphenyl)-2-(2-methylbutan-2-ylamino)-2-oxoethyl]-N-(1,3-thiazol-2-yl)butanediamide.
What is the SMILES notation for N'-(2-methoxyethyl)-N'-[1-(4-methoxyphenyl)-2-(2-methylbutan-2-ylamino)-2-oxoethyl]-N-(1,3-thiazol-2-yl)butanediamide?
The canonical SMILES for N'-(2-methoxyethyl)-N'-[1-(4-methoxyphenyl)-2-(2-methylbutan-2-ylamino)-2-oxoethyl]-N-(1,3-thiazol-2-yl)butanediamide is CCC(C)(C)NC(=O)C(c1ccc(OC)cc1)N(CCOC)C(=O)CCC(=O)Nc1nccs1.
What is the InChIKey of N'-(2-methoxyethyl)-N'-[1-(4-methoxyphenyl)-2-(2-methylbutan-2-ylamino)-2-oxoethyl]-N-(1,3-thiazol-2-yl)butanediamide?
The InChIKey is KLQAUYADWJRUER-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N4O5S/c1-6-24(2,3)27-22(31)21(17-7-9-18(33-5)10-8-17)28(14-15-32-4)20(30)12-11-19(29)26-23-25-13-16-34-23/h7-10,13,16,21H,6,11-12,14-15H2,1-5H3,(H,27,31)(H,25,26,29).
What are the key properties of N'-(2-methoxyethyl)-N'-[1-(4-methoxyphenyl)-2-(2-methylbutan-2-ylamino)-2-oxoethyl]-N-(1,3-thiazol-2-yl)butanediamide?
N'-(2-methoxyethyl)-N'-[1-(4-methoxyphenyl)-2-(2-methylbutan-2-ylamino)-2-oxoethyl]-N-(1,3-thiazol-2-yl)butanediamide has a molecular weight of 490.63 g/mol, XLogP of 3.39, 13 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-(2-methylbutan-2-ylamino)-2-oxoethyl]-N-(1,3-thiazol-2-yl)butanediamide is sourced from PubChem (CID 3205555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).