N-[2-[[4-[2-(4-fluoroanilino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-4-methyl-N-propan-2-ylbenzamide

C24H25FN4O3S — CID 1029922

IUPACN-[2-[[4-[2-(4-fluoroanilino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-4-methyl-N-propan-2-ylbenzamide
SMILESCc1ccc(C(=O)N(CC(=O)Nc2nc(CC(=O)Nc3ccc(F)cc3)cs2)C(C)C)cc1
InChIInChI=1S/C24H25FN4O3S/c1-15(2)29(23(32)17-6-4-16(3)5-7-17)13-22(31)28-24-27-20(14-33-24)12-21(30)26-19-10-8-18(25)9-11-19/h4-11,14-15H,12-13H2,1-3H3,(H,26,30)(H,27,28,31)
InChIKeyIJXCYIQJUWDLQU-UHFFFAOYSA-N
MW468.55 g/mol
LogP4.26
Rot. Bonds8

About N-[2-[[4-[2-(4-fluoroanilino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-4-methyl-N-propan-2-ylbenzamide

N-[2-[[4-[2-(4-fluoroanilino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-4-methyl-N-propan-2-ylbenzamide (PubChem CID 1029922) has the molecular formula C24H25FN4O3S and a molecular weight of 468.55 g/mol. Its IUPAC name is N-[2-[[4-[2-(4-fluoroanilino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-4-methyl-N-propan-2-ylbenzamide.

Molecular Properties

Compound NameN-[2-[[4-[2-(4-fluoroanilino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-4-methyl-N-propan-2-ylbenzamide
PubChem CID1029922
Molecular FormulaC24H25FN4O3S
Molecular Weight468.55 g/mol
Exact Mass468.16
IUPAC NameN-[2-[[4-[2-(4-fluoroanilino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-4-methyl-N-propan-2-ylbenzamide
SMILESCc1ccc(C(=O)N(CC(=O)Nc2nc(CC(=O)Nc3ccc(F)cc3)cs2)C(C)C)cc1
InChIInChI=1S/C24H25FN4O3S/c1-15(2)29(23(32)17-6-4-16(3)5-7-17)13-22(31)28-24-27-20(14-33-24)12-21(30)26-19-10-8-18(25)9-11-19/h4-11,14-15H,12-13H2,1-3H3,(H,26,30)(H,27,28,31)
InChIKeyIJXCYIQJUWDLQU-UHFFFAOYSA-N
XLogP4.26
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.55
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[[4-[2-(2-fluoroanilino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-4-methyl-N-propan-2-ylbenzamide
CID 1029921
4-fluoro-N-[2-[[4-[2-(2-fluoroanilino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-propan-2-ylbenzamide
CID 42779016
4-methyl-N-[2-oxo-2-[[4-[2-oxo-2-(propylamino)ethyl]-1,3-thiazol-2-yl]amino]ethyl]-N-propan-2-ylbenzamide
CID 5240773
N-[2-[[4-[2-(cyclohexylamino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-4-methyl-N-propan-2-ylbenzamide
CID 1029885
4-fluoro-N-[2-oxo-2-[[4-(2-oxo-2-piperidin-1-ylethyl)-1,3-thiazol-2-yl]amino]ethyl]-N-propan-2-ylbenzamide
CID 1029792
4-methyl-N-[2-oxo-2-[[4-[2-oxo-2-(2-phenylethylamino)ethyl]-1,3-thiazol-2-yl]amino]ethyl]-N-propan-2-ylbenzamide
CID 4534900
4-methyl-N-[2-[[4-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-propan-2-ylbenzamide
CID 1029904
N-[2-oxo-2-[[4-[2-oxo-2-(1-phenylethylamino)ethyl]-1,3-thiazol-2-yl]amino]ethyl]-N-propan-2-ylbenzamide
CID 3502903
2-[2-[[2-[(4-fluorobenzoyl)-(2-methylpropyl)amino]acetyl]amino]-1,3-thiazol-4-yl]acetic acid
CID 4690946
2-[2-[[2-[benzoyl(propan-2-yl)amino]acetyl]amino]-1,3-thiazol-4-yl]acetate
CID 7361431
4-fluoro-N-[2-[[4-[2-[3-(2-methylpiperidin-1-yl)propylamino]-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-propan-2-ylbenzamide
CID 4073704
N-(4-methylphenyl)-2-[2-[(4-methylphenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide
CID 18567499

Frequently Asked Questions

What is the IUPAC name of N-[2-[[4-[2-(4-fluoroanilino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-4-methyl-N-propan-2-ylbenzamide?
The IUPAC name of N-[2-[[4-[2-(4-fluoroanilino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-4-methyl-N-propan-2-ylbenzamide (CID 1029922) is N-[2-[[4-[2-(4-fluoroanilino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-4-methyl-N-propan-2-ylbenzamide.
What is the SMILES notation for N-[2-[[4-[2-(4-fluoroanilino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-4-methyl-N-propan-2-ylbenzamide?
The canonical SMILES for N-[2-[[4-[2-(4-fluoroanilino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-4-methyl-N-propan-2-ylbenzamide is Cc1ccc(C(=O)N(CC(=O)Nc2nc(CC(=O)Nc3ccc(F)cc3)cs2)C(C)C)cc1.
What is the InChIKey of N-[2-[[4-[2-(4-fluoroanilino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-4-methyl-N-propan-2-ylbenzamide?
The InChIKey is IJXCYIQJUWDLQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN4O3S/c1-15(2)29(23(32)17-6-4-16(3)5-7-17)13-22(31)28-24-27-20(14-33-24)12-21(30)26-19-10-8-18(25)9-11-19/h4-11,14-15H,12-13H2,1-3H3,(H,26,30)(H,27,28,31).
What are the key properties of N-[2-[[4-[2-(4-fluoroanilino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-4-methyl-N-propan-2-ylbenzamide?
N-[2-[[4-[2-(4-fluoroanilino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-4-methyl-N-propan-2-ylbenzamide has a molecular weight of 468.55 g/mol, XLogP of 4.26, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[4-[2-(4-fluoroanilino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-4-methyl-N-propan-2-ylbenzamide is sourced from PubChem (CID 1029922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).