N-[(3-fluorophenyl)methyl]-4-[[2-(4-oxo-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide

C23H23FN4O3S — CID 46590082

IUPACN-[(3-fluorophenyl)methyl]-4-[[2-(4-oxo-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide
SMILESO=C(CC1SC(N2CCCC2)=NC1=O)Nc1ccc(C(=O)NCc2cccc(F)c2)cc1
InChIInChI=1S/C23H23FN4O3S/c24-17-5-3-4-15(12-17)14-25-21(30)16-6-8-18(9-7-16)26-20(29)13-19-22(31)27-23(32-19)28-10-1-2-11-28/h3-9,12,19H,1-2,10-11,13-14H2,(H,25,30)(H,26,29)
InChIKeyBRDAODJHJGGOCW-UHFFFAOYSA-N
MW454.53 g/mol
LogP3.18
Rot. Bonds6

About N-[(3-fluorophenyl)methyl]-4-[[2-(4-oxo-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide

N-[(3-fluorophenyl)methyl]-4-[[2-(4-oxo-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide (PubChem CID 46590082) has the molecular formula C23H23FN4O3S and a molecular weight of 454.53 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]-4-[[2-(4-oxo-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methyl]-4-[[2-(4-oxo-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide
PubChem CID46590082
Molecular FormulaC23H23FN4O3S
Molecular Weight454.53 g/mol
Exact Mass454.15
IUPAC NameN-[(3-fluorophenyl)methyl]-4-[[2-(4-oxo-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide
SMILESO=C(CC1SC(N2CCCC2)=NC1=O)Nc1ccc(C(=O)NCc2cccc(F)c2)cc1
InChIInChI=1S/C23H23FN4O3S/c24-17-5-3-4-15(12-17)14-25-21(30)16-6-8-18(9-7-16)26-20(29)13-19-22(31)27-23(32-19)28-10-1-2-11-28/h3-9,12,19H,1-2,10-11,13-14H2,(H,25,30)(H,26,29)
InChIKeyBRDAODJHJGGOCW-UHFFFAOYSA-N
XLogP3.18
TPSA90.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.53
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-methoxyphenyl)methyl]-4-[[2-[(5S)-4-oxo-2-pyrrolidin-1-yl-1,3-thiazol-5-yl]acetyl]amino]benzamide
CID 41208455
N-ethyl-4-[[2-(4-oxo-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide
CID 24982889
4-[[2-[(5S)-4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl]acetyl]amino]-N-(thiophen-2-ylmethyl)benzamide
CID 41202358
2-(4-oxo-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)-N-[4-[[(2-phenylacetyl)amino]carbamoyl]phenyl]acetamide
CID 46650936
N-methyl-4-[[2-[(5S)-4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl]acetyl]amino]benzamide
CID 7612288
N-[2-(diethylamino)ethyl]-4-[[2-(4-oxo-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide
CID 55378354
N-(3-ethynylphenyl)-4-[[2-(4-oxo-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide
CID 55520224
N-[(4-methoxyphenyl)methyl]-3-[[2-[(5S)-4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl]acetyl]amino]benzamide
CID 40855465
N-(4-ethylphenyl)-3-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide
CID 46531785
N-(3-methoxyphenyl)-4-[[2-[(5S)-4-oxo-2-pyrrolidin-1-yl-1,3-thiazol-5-yl]acetyl]amino]benzamide
CID 26202131
3-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]-N-prop-2-enylbenzamide
CID 46531753
N-[4-(azetidine-1-carbonyl)phenyl]-2-[(5S)-4-oxo-2-pyrrolidin-1-yl-1,3-thiazol-5-yl]acetamide
CID 7612301

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)methyl]-4-[[2-(4-oxo-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide?
The IUPAC name of N-[(3-fluorophenyl)methyl]-4-[[2-(4-oxo-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide (CID 46590082) is N-[(3-fluorophenyl)methyl]-4-[[2-(4-oxo-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide.
What is the SMILES notation for N-[(3-fluorophenyl)methyl]-4-[[2-(4-oxo-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide?
The canonical SMILES for N-[(3-fluorophenyl)methyl]-4-[[2-(4-oxo-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide is O=C(CC1SC(N2CCCC2)=NC1=O)Nc1ccc(C(=O)NCc2cccc(F)c2)cc1.
What is the InChIKey of N-[(3-fluorophenyl)methyl]-4-[[2-(4-oxo-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide?
The InChIKey is BRDAODJHJGGOCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN4O3S/c24-17-5-3-4-15(12-17)14-25-21(30)16-6-8-18(9-7-16)26-20(29)13-19-22(31)27-23(32-19)28-10-1-2-11-28/h3-9,12,19H,1-2,10-11,13-14H2,(H,25,30)(H,26,29).
What are the key properties of N-[(3-fluorophenyl)methyl]-4-[[2-(4-oxo-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide?
N-[(3-fluorophenyl)methyl]-4-[[2-(4-oxo-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide has a molecular weight of 454.53 g/mol, XLogP of 3.18, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)methyl]-4-[[2-(4-oxo-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide is sourced from PubChem (CID 46590082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).