N-[4-(4-acetamido-3,4-dihydro-2H-chromen-6-yl)-1,3-thiazol-2-yl]-4-(3,4-dimethylphenyl)-4-oxobutanamide

C26H27N3O4S — CID 108730881

IUPACN-[4-(4-acetamido-3,4-dihydro-2H-chromen-6-yl)-1,3-thiazol-2-yl]-4-(3,4-dimethylphenyl)-4-oxobutanamide
SMILESCC(=O)NC1CCOc2ccc(-c3csc(NC(=O)CCC(=O)c4ccc(C)c(C)c4)n3)cc21
InChIInChI=1S/C26H27N3O4S/c1-15-4-5-19(12-16(15)2)23(31)7-9-25(32)29-26-28-22(14-34-26)18-6-8-24-20(13-18)21(10-11-33-24)27-17(3)30/h4-6,8,12-14,21H,7,9-11H2,1-3H3,(H,27,30)(H,28,29,32)
InChIKeyYVORSGWUGYNJGJ-UHFFFAOYSA-N
MW477.59 g/mol
LogP4.99
Rot. Bonds7

About N-[4-(4-acetamido-3,4-dihydro-2H-chromen-6-yl)-1,3-thiazol-2-yl]-4-(3,4-dimethylphenyl)-4-oxobutanamide

N-[4-(4-acetamido-3,4-dihydro-2H-chromen-6-yl)-1,3-thiazol-2-yl]-4-(3,4-dimethylphenyl)-4-oxobutanamide (PubChem CID 108730881) has the molecular formula C26H27N3O4S and a molecular weight of 477.59 g/mol. Its IUPAC name is N-[4-(4-acetamido-3,4-dihydro-2H-chromen-6-yl)-1,3-thiazol-2-yl]-4-(3,4-dimethylphenyl)-4-oxobutanamide.

Molecular Properties

Compound NameN-[4-(4-acetamido-3,4-dihydro-2H-chromen-6-yl)-1,3-thiazol-2-yl]-4-(3,4-dimethylphenyl)-4-oxobutanamide
PubChem CID108730881
Molecular FormulaC26H27N3O4S
Molecular Weight477.59 g/mol
Exact Mass477.17
IUPAC NameN-[4-(4-acetamido-3,4-dihydro-2H-chromen-6-yl)-1,3-thiazol-2-yl]-4-(3,4-dimethylphenyl)-4-oxobutanamide
SMILESCC(=O)NC1CCOc2ccc(-c3csc(NC(=O)CCC(=O)c4ccc(C)c(C)c4)n3)cc21
InChIInChI=1S/C26H27N3O4S/c1-15-4-5-19(12-16(15)2)23(31)7-9-25(32)29-26-28-22(14-34-26)18-6-8-24-20(13-18)21(10-11-33-24)27-17(3)30/h4-6,8,12-14,21H,7,9-11H2,1-3H3,(H,27,30)(H,28,29,32)
InChIKeyYVORSGWUGYNJGJ-UHFFFAOYSA-N
XLogP4.99
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.59
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(4-acetamido-3,4-dihydro-2H-chromen-6-yl)-1,3-thiazol-2-yl]-3,4-dimethylbenzamide
CID 108730820
N-[4-(4-acetamido-3,4-dihydro-2H-chromen-6-yl)-1,3-thiazol-2-yl]butanamide
CID 108730853
N-[4-(4-acetamido-3,4-dihydro-2H-chromen-6-yl)-1,3-thiazol-2-yl]-2-chloroacetamide
CID 108730842
N-[4-(4-acetamido-3,4-dihydro-2H-chromen-6-yl)-1,3-thiazol-2-yl]-2-methoxyacetamide
CID 108730892
N-[4-(4-acetamido-3,4-dihydro-2H-chromen-6-yl)-1,3-thiazol-2-yl]-2-(1-adamantyl)acetamide
CID 108754425
N-[4-(4-acetamido-3,4-dihydro-2H-chromen-6-yl)-1,3-thiazol-2-yl]-3,4-dimethoxybenzamide
CID 108754399
N-[4-(4-acetamido-3,4-dihydro-2H-chromen-6-yl)-1,3-thiazol-2-yl]-3-(2-chlorophenoxy)propanamide
CID 108811014
(E)-N-[4-(4-acetamido-3,4-dihydro-2H-chromen-6-yl)-1,3-thiazol-2-yl]but-2-enamide
CID 108754392
N-[4-(4-acetamido-3,4-dihydro-2H-chromen-6-yl)-1,3-thiazol-2-yl]-2-chloropropanamide
CID 108730854
N-[4-(4-acetamido-3,4-dihydro-2H-chromen-6-yl)-1,3-thiazol-2-yl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 108730865
N-[6-(2-amino-1,3-thiazol-4-yl)-3,4-dihydro-2H-chromen-4-yl]acetamide
CID 52983828
N-[4-(4-acetamido-3,4-dihydro-2H-chromen-6-yl)-1,3-thiazol-2-yl]-2-(4-nitrophenoxy)acetamide
CID 108730891

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-acetamido-3,4-dihydro-2H-chromen-6-yl)-1,3-thiazol-2-yl]-4-(3,4-dimethylphenyl)-4-oxobutanamide?
The IUPAC name of N-[4-(4-acetamido-3,4-dihydro-2H-chromen-6-yl)-1,3-thiazol-2-yl]-4-(3,4-dimethylphenyl)-4-oxobutanamide (CID 108730881) is N-[4-(4-acetamido-3,4-dihydro-2H-chromen-6-yl)-1,3-thiazol-2-yl]-4-(3,4-dimethylphenyl)-4-oxobutanamide.
What is the SMILES notation for N-[4-(4-acetamido-3,4-dihydro-2H-chromen-6-yl)-1,3-thiazol-2-yl]-4-(3,4-dimethylphenyl)-4-oxobutanamide?
The canonical SMILES for N-[4-(4-acetamido-3,4-dihydro-2H-chromen-6-yl)-1,3-thiazol-2-yl]-4-(3,4-dimethylphenyl)-4-oxobutanamide is CC(=O)NC1CCOc2ccc(-c3csc(NC(=O)CCC(=O)c4ccc(C)c(C)c4)n3)cc21.
What is the InChIKey of N-[4-(4-acetamido-3,4-dihydro-2H-chromen-6-yl)-1,3-thiazol-2-yl]-4-(3,4-dimethylphenyl)-4-oxobutanamide?
The InChIKey is YVORSGWUGYNJGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O4S/c1-15-4-5-19(12-16(15)2)23(31)7-9-25(32)29-26-28-22(14-34-26)18-6-8-24-20(13-18)21(10-11-33-24)27-17(3)30/h4-6,8,12-14,21H,7,9-11H2,1-3H3,(H,27,30)(H,28,29,32).
What are the key properties of N-[4-(4-acetamido-3,4-dihydro-2H-chromen-6-yl)-1,3-thiazol-2-yl]-4-(3,4-dimethylphenyl)-4-oxobutanamide?
N-[4-(4-acetamido-3,4-dihydro-2H-chromen-6-yl)-1,3-thiazol-2-yl]-4-(3,4-dimethylphenyl)-4-oxobutanamide has a molecular weight of 477.59 g/mol, XLogP of 4.99, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-acetamido-3,4-dihydro-2H-chromen-6-yl)-1,3-thiazol-2-yl]-4-(3,4-dimethylphenyl)-4-oxobutanamide is sourced from PubChem (CID 108730881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).