2-(N-[2-(2-amino-4-oxo-1,3-thiazol-5-yl)acetyl]-4-fluoroanilino)-N-tert-butyl-2-(4-methylphenyl)acetamide

C24H27FN4O3S — CID 3793427

IUPAC2-(N-[2-(2-amino-4-oxo-1,3-thiazol-5-yl)acetyl]-4-fluoroanilino)-N-tert-butyl-2-(4-methylphenyl)acetamide
SMILESCc1ccc(C(C(=O)NC(C)(C)C)N(C(=O)CC2SC(N)=NC2=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C24H27FN4O3S/c1-14-5-7-15(8-6-14)20(22(32)28-24(2,3)4)29(17-11-9-16(25)10-12-17)19(30)13-18-21(31)27-23(26)33-18/h5-12,18,20H,13H2,1-4H3,(H,28,32)(H2,26,27,31)
InChIKeyPTNYOFBVKNBBIH-UHFFFAOYSA-N
MW470.57 g/mol
LogP3.47
Rot. Bonds6

About 2-(N-[2-(2-amino-4-oxo-1,3-thiazol-5-yl)acetyl]-4-fluoroanilino)-N-tert-butyl-2-(4-methylphenyl)acetamide

2-(N-[2-(2-amino-4-oxo-1,3-thiazol-5-yl)acetyl]-4-fluoroanilino)-N-tert-butyl-2-(4-methylphenyl)acetamide (PubChem CID 3793427) has the molecular formula C24H27FN4O3S and a molecular weight of 470.57 g/mol. Its IUPAC name is 2-(N-[2-(2-amino-4-oxo-1,3-thiazol-5-yl)acetyl]-4-fluoroanilino)-N-tert-butyl-2-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(N-[2-(2-amino-4-oxo-1,3-thiazol-5-yl)acetyl]-4-fluoroanilino)-N-tert-butyl-2-(4-methylphenyl)acetamide
PubChem CID3793427
Molecular FormulaC24H27FN4O3S
Molecular Weight470.57 g/mol
Exact Mass470.18
IUPAC Name2-(N-[2-(2-amino-4-oxo-1,3-thiazol-5-yl)acetyl]-4-fluoroanilino)-N-tert-butyl-2-(4-methylphenyl)acetamide
SMILESCc1ccc(C(C(=O)NC(C)(C)C)N(C(=O)CC2SC(N)=NC2=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C24H27FN4O3S/c1-14-5-7-15(8-6-14)20(22(32)28-24(2,3)4)29(17-11-9-16(25)10-12-17)19(30)13-18-21(31)27-23(26)33-18/h5-12,18,20H,13H2,1-4H3,(H,28,32)(H2,26,27,31)
InChIKeyPTNYOFBVKNBBIH-UHFFFAOYSA-N
XLogP3.47
TPSA104.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.57
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(4-fluorophenyl)-2-(2-methylbutan-2-ylamino)-2-oxoethyl]-N-(4-methylphenyl)thiadiazole-4-carboxamide
CID 3221828
N-[2-(tert-butylamino)-1-(4-methylphenyl)-2-oxoethyl]-N-(4-methylphenyl)thiadiazole-4-carboxamide
CID 3219226
4-amino-5-N-[2-(tert-butylamino)-1-(4-fluorophenyl)-2-oxoethyl]-5-N-(4-propan-2-ylphenyl)-1,2-thiazole-3,5-dicarboxamide
CID 3177384
N'-[2-(tert-butylamino)-1-(4-methylphenyl)-2-oxoethyl]-N'-(3-fluorophenyl)-N-pyridin-2-ylbutanediamide
CID 3205051
4-amino-5-N-[2-(tert-butylamino)-1-(4-methylphenyl)-2-oxoethyl]-5-N-[(4-fluorophenyl)methyl]-1,2-thiazole-3,5-dicarboxamide
CID 3178839
N-[2-(N-[(1S)-2-(tert-butylamino)-2-oxo-1-phenylethyl]-4-methylanilino)-2-oxoethyl]thiophene-2-carboxamide
CID 25317764
N'-[2-(tert-butylamino)-1-(4-methylphenyl)-2-oxoethyl]-N'-(3-fluorophenyl)-N-(1,3-thiazol-2-yl)butanediamide
CID 3205543
N-[2-(tert-butylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-[(4-methylphenyl)methyl]thiadiazole-4-carboxamide
CID 3219383
2-[[2-(tert-butylamino)-1-(4-methylphenyl)-2-oxoethyl]-methylamino]ethyl (E)-4-(4-fluorophenyl)-4-oxobut-2-enoate
CID 162648738
N-[2-(tert-butylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-phenylthiadiazole-4-carboxamide
CID 3219164
N-[2-(tert-butylamino)-1-(3-methylphenyl)-2-oxoethyl]-N-(4-fluorophenyl)thiadiazole-4-carboxamide
CID 3221759
N-[2-(tert-butylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-(4-fluorophenyl)thiadiazole-4-carboxamide
CID 3219149

Frequently Asked Questions

What is the IUPAC name of 2-(N-[2-(2-amino-4-oxo-1,3-thiazol-5-yl)acetyl]-4-fluoroanilino)-N-tert-butyl-2-(4-methylphenyl)acetamide?
The IUPAC name of 2-(N-[2-(2-amino-4-oxo-1,3-thiazol-5-yl)acetyl]-4-fluoroanilino)-N-tert-butyl-2-(4-methylphenyl)acetamide (CID 3793427) is 2-(N-[2-(2-amino-4-oxo-1,3-thiazol-5-yl)acetyl]-4-fluoroanilino)-N-tert-butyl-2-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-(N-[2-(2-amino-4-oxo-1,3-thiazol-5-yl)acetyl]-4-fluoroanilino)-N-tert-butyl-2-(4-methylphenyl)acetamide?
The canonical SMILES for 2-(N-[2-(2-amino-4-oxo-1,3-thiazol-5-yl)acetyl]-4-fluoroanilino)-N-tert-butyl-2-(4-methylphenyl)acetamide is Cc1ccc(C(C(=O)NC(C)(C)C)N(C(=O)CC2SC(N)=NC2=O)c2ccc(F)cc2)cc1.
What is the InChIKey of 2-(N-[2-(2-amino-4-oxo-1,3-thiazol-5-yl)acetyl]-4-fluoroanilino)-N-tert-butyl-2-(4-methylphenyl)acetamide?
The InChIKey is PTNYOFBVKNBBIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN4O3S/c1-14-5-7-15(8-6-14)20(22(32)28-24(2,3)4)29(17-11-9-16(25)10-12-17)19(30)13-18-21(31)27-23(26)33-18/h5-12,18,20H,13H2,1-4H3,(H,28,32)(H2,26,27,31).
What are the key properties of 2-(N-[2-(2-amino-4-oxo-1,3-thiazol-5-yl)acetyl]-4-fluoroanilino)-N-tert-butyl-2-(4-methylphenyl)acetamide?
2-(N-[2-(2-amino-4-oxo-1,3-thiazol-5-yl)acetyl]-4-fluoroanilino)-N-tert-butyl-2-(4-methylphenyl)acetamide has a molecular weight of 470.57 g/mol, XLogP of 3.47, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-[2-(2-amino-4-oxo-1,3-thiazol-5-yl)acetyl]-4-fluoroanilino)-N-tert-butyl-2-(4-methylphenyl)acetamide is sourced from PubChem (CID 3793427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).