N-[2-[[4-[2-(furan-2-ylmethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-(2-methoxyethyl)-4-methylbenzamide

C23H26N4O5S — CID 4131279

IUPACN-[2-[[4-[2-(furan-2-ylmethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-(2-methoxyethyl)-4-methylbenzamide
SMILESCOCCN(CC(=O)Nc1nc(CC(=O)NCc2ccco2)cs1)C(=O)c1ccc(C)cc1
InChIInChI=1S/C23H26N4O5S/c1-16-5-7-17(8-6-16)22(30)27(9-11-31-2)14-21(29)26-23-25-18(15-33-23)12-20(28)24-13-19-4-3-10-32-19/h3-8,10,15H,9,11-14H2,1-2H3,(H,24,28)(H,25,26,29)
InChIKeyHLLWQCVTVWNJBC-UHFFFAOYSA-N
MW470.55 g/mol
LogP2.63
Rot. Bonds11

About N-[2-[[4-[2-(furan-2-ylmethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-(2-methoxyethyl)-4-methylbenzamide

N-[2-[[4-[2-(furan-2-ylmethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-(2-methoxyethyl)-4-methylbenzamide (PubChem CID 4131279) has the molecular formula C23H26N4O5S and a molecular weight of 470.55 g/mol. Its IUPAC name is N-[2-[[4-[2-(furan-2-ylmethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-(2-methoxyethyl)-4-methylbenzamide.

Molecular Properties

Compound NameN-[2-[[4-[2-(furan-2-ylmethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-(2-methoxyethyl)-4-methylbenzamide
PubChem CID4131279
Molecular FormulaC23H26N4O5S
Molecular Weight470.55 g/mol
Exact Mass470.16
IUPAC NameN-[2-[[4-[2-(furan-2-ylmethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-(2-methoxyethyl)-4-methylbenzamide
SMILESCOCCN(CC(=O)Nc1nc(CC(=O)NCc2ccco2)cs1)C(=O)c1ccc(C)cc1
InChIInChI=1S/C23H26N4O5S/c1-16-5-7-17(8-6-16)22(30)27(9-11-31-2)14-21(29)26-23-25-18(15-33-23)12-20(28)24-13-19-4-3-10-32-19/h3-8,10,15H,9,11-14H2,1-2H3,(H,24,28)(H,25,26,29)
InChIKeyHLLWQCVTVWNJBC-UHFFFAOYSA-N
XLogP2.63
TPSA113.77 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.55
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-[[4-[2-(furan-2-ylmethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-4-methyl-N-(2-methylpropyl)benzamide
CID 5186555
N-[2-[[4-[2-(tert-butylamino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-(2-methoxyethyl)-4-methylbenzamide
CID 4136766
N-cyclopropyl-N-[2-[[4-[2-(furan-2-ylmethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-4-methylbenzamide
CID 1023867
N-[2-[[4-[2-(diethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-(2-methoxyethyl)-4-methylbenzamide
CID 4125075
N-[2-[[4-[2-(dipropylamino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-(2-methoxyethyl)-4-methylbenzamide
CID 4142910
N-(2-methoxyethyl)-4-methyl-N-[2-oxo-2-[[4-[2-oxo-2-(4-phenylbutan-2-ylamino)ethyl]-1,3-thiazol-2-yl]amino]ethyl]benzamide
CID 3326418
N-(2-methoxyethyl)-N-[2-oxo-2-[[4-[2-oxo-2-(propan-2-ylamino)ethyl]-1,3-thiazol-2-yl]amino]ethyl]furan-2-carboxamide
CID 4124696
N-(2-methoxyethyl)-N-[2-oxo-2-[[4-[2-oxo-2-(propylamino)ethyl]-1,3-thiazol-2-yl]amino]ethyl]benzamide
CID 4129925
N-[2-[[4-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-(2-methoxyethyl)benzamide
CID 4651253
2-[2-[[2-[(4-chlorobenzoyl)-(2-methoxyethyl)amino]acetyl]amino]-1,3-thiazol-4-yl]acetic acid
CID 5218584
N-[2-[[4-[2-(dipropylamino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-(2-methoxyethyl)benzamide
CID 3419400
N-[2-[[4-[2-(cyclopropylamino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-(2-methoxyethyl)furan-2-carboxamide
CID 4582365

Frequently Asked Questions

What is the IUPAC name of N-[2-[[4-[2-(furan-2-ylmethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-(2-methoxyethyl)-4-methylbenzamide?
The IUPAC name of N-[2-[[4-[2-(furan-2-ylmethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-(2-methoxyethyl)-4-methylbenzamide (CID 4131279) is N-[2-[[4-[2-(furan-2-ylmethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-(2-methoxyethyl)-4-methylbenzamide.
What is the SMILES notation for N-[2-[[4-[2-(furan-2-ylmethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-(2-methoxyethyl)-4-methylbenzamide?
The canonical SMILES for N-[2-[[4-[2-(furan-2-ylmethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-(2-methoxyethyl)-4-methylbenzamide is COCCN(CC(=O)Nc1nc(CC(=O)NCc2ccco2)cs1)C(=O)c1ccc(C)cc1.
What is the InChIKey of N-[2-[[4-[2-(furan-2-ylmethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-(2-methoxyethyl)-4-methylbenzamide?
The InChIKey is HLLWQCVTVWNJBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O5S/c1-16-5-7-17(8-6-16)22(30)27(9-11-31-2)14-21(29)26-23-25-18(15-33-23)12-20(28)24-13-19-4-3-10-32-19/h3-8,10,15H,9,11-14H2,1-2H3,(H,24,28)(H,25,26,29).
What are the key properties of N-[2-[[4-[2-(furan-2-ylmethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-(2-methoxyethyl)-4-methylbenzamide?
N-[2-[[4-[2-(furan-2-ylmethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-(2-methoxyethyl)-4-methylbenzamide has a molecular weight of 470.55 g/mol, XLogP of 2.63, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[4-[2-(furan-2-ylmethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-(2-methoxyethyl)-4-methylbenzamide is sourced from PubChem (CID 4131279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).