N-(4-fluorophenyl)-4-(5-methyl-1,3-dioxoisoindol-2-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]butanamide

C24H22FN3O3S — CID 55732537

IUPACN-(4-fluorophenyl)-4-(5-methyl-1,3-dioxoisoindol-2-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]butanamide
SMILESCc1ccc2c(c1)C(=O)N(CCCC(=O)N(Cc1csc(C)n1)c1ccc(F)cc1)C2=O
InChIInChI=1S/C24H22FN3O3S/c1-15-5-10-20-21(12-15)24(31)27(23(20)30)11-3-4-22(29)28(13-18-14-32-16(2)26-18)19-8-6-17(25)7-9-19/h5-10,12,14H,3-4,11,13H2,1-2H3
InChIKeyWHIGYQFRXDJDGI-UHFFFAOYSA-N
MW451.52 g/mol
LogP4.51
Rot. Bonds7

About N-(4-fluorophenyl)-4-(5-methyl-1,3-dioxoisoindol-2-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]butanamide

N-(4-fluorophenyl)-4-(5-methyl-1,3-dioxoisoindol-2-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]butanamide (PubChem CID 55732537) has the molecular formula C24H22FN3O3S and a molecular weight of 451.52 g/mol. Its IUPAC name is N-(4-fluorophenyl)-4-(5-methyl-1,3-dioxoisoindol-2-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]butanamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-4-(5-methyl-1,3-dioxoisoindol-2-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]butanamide
PubChem CID55732537
Molecular FormulaC24H22FN3O3S
Molecular Weight451.52 g/mol
Exact Mass451.14
IUPAC NameN-(4-fluorophenyl)-4-(5-methyl-1,3-dioxoisoindol-2-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]butanamide
SMILESCc1ccc2c(c1)C(=O)N(CCCC(=O)N(Cc1csc(C)n1)c1ccc(F)cc1)C2=O
InChIInChI=1S/C24H22FN3O3S/c1-15-5-10-20-21(12-15)24(31)27(23(20)30)11-3-4-22(29)28(13-18-14-32-16(2)26-18)19-8-6-17(25)7-9-19/h5-10,12,14H,3-4,11,13H2,1-2H3
InChIKeyWHIGYQFRXDJDGI-UHFFFAOYSA-N
XLogP4.51
TPSA70.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.52
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(4-fluorophenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propanamide
CID 55785481
4,5-dichloro-N-(4-fluorophenyl)-1-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrole-2-carboxamide
CID 55785386
3-(3-fluorophenyl)-N-(4-fluorophenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propanamide
CID 86992303
N-(4-fluorophenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(phenylcarbamoylamino)propanamide
CID 55732936
N-methyl-4-(5-methyl-1,3-dioxoisoindol-2-yl)-N-[(3-methylthiophen-2-yl)methyl]butanamide
CID 51192488
2-(2,5-dimethoxyphenyl)-N-(4-fluorophenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide
CID 78886776
N-(1,3-benzothiazol-2-yl)-N-ethyl-4-(5-methyl-1,3-dioxoisoindol-2-yl)butanamide
CID 34191636
(2-ethyl-1,3-thiazol-4-yl)methyl 4-(5-methyl-1,3-dioxoisoindol-2-yl)butanoate
CID 35601337
3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(4-fluorophenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propanamide
CID 55732535
N-(4-fluorophenyl)-2-methylsulfanyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide
CID 112828591
N-(4-fluorophenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
CID 55732875
N-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyl-4-(5-methyl-1,3-dioxoisoindol-2-yl)butanamide
CID 55953725

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-4-(5-methyl-1,3-dioxoisoindol-2-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]butanamide?
The IUPAC name of N-(4-fluorophenyl)-4-(5-methyl-1,3-dioxoisoindol-2-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]butanamide (CID 55732537) is N-(4-fluorophenyl)-4-(5-methyl-1,3-dioxoisoindol-2-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]butanamide.
What is the SMILES notation for N-(4-fluorophenyl)-4-(5-methyl-1,3-dioxoisoindol-2-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]butanamide?
The canonical SMILES for N-(4-fluorophenyl)-4-(5-methyl-1,3-dioxoisoindol-2-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]butanamide is Cc1ccc2c(c1)C(=O)N(CCCC(=O)N(Cc1csc(C)n1)c1ccc(F)cc1)C2=O.
What is the InChIKey of N-(4-fluorophenyl)-4-(5-methyl-1,3-dioxoisoindol-2-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]butanamide?
The InChIKey is WHIGYQFRXDJDGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN3O3S/c1-15-5-10-20-21(12-15)24(31)27(23(20)30)11-3-4-22(29)28(13-18-14-32-16(2)26-18)19-8-6-17(25)7-9-19/h5-10,12,14H,3-4,11,13H2,1-2H3.
What are the key properties of N-(4-fluorophenyl)-4-(5-methyl-1,3-dioxoisoindol-2-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]butanamide?
N-(4-fluorophenyl)-4-(5-methyl-1,3-dioxoisoindol-2-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]butanamide has a molecular weight of 451.52 g/mol, XLogP of 4.51, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-4-(5-methyl-1,3-dioxoisoindol-2-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]butanamide is sourced from PubChem (CID 55732537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).