N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-4-[[2-(4-oxo-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide

C26H27F2N5O4S — CID 24981139

IUPACN-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-4-[[2-(4-oxo-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide
SMILESCCN(CC(=O)Nc1c(F)cccc1F)C(=O)c1ccc(NC(=O)CC2SC(N3CCCC3)=NC2=O)cc1
InChIInChI=1S/C26H27F2N5O4S/c1-2-32(15-22(35)30-23-18(27)6-5-7-19(23)28)25(37)16-8-10-17(11-9-16)29-21(34)14-20-24(36)31-26(38-20)33-12-3-4-13-33/h5-11,20H,2-4,12-15H2,1H3,(H,29,34)(H,30,35)
InChIKeyNXUOUZFSIKKYOH-UHFFFAOYSA-N
MW543.60 g/mol
LogP3.49
Rot. Bonds8

About N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-4-[[2-(4-oxo-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide

N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-4-[[2-(4-oxo-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide (PubChem CID 24981139) has the molecular formula C26H27F2N5O4S and a molecular weight of 543.60 g/mol. Its IUPAC name is N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-4-[[2-(4-oxo-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide.

Molecular Properties

Compound NameN-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-4-[[2-(4-oxo-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide
PubChem CID24981139
Molecular FormulaC26H27F2N5O4S
Molecular Weight543.60 g/mol
Exact Mass543.18
IUPAC NameN-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-4-[[2-(4-oxo-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide
SMILESCCN(CC(=O)Nc1c(F)cccc1F)C(=O)c1ccc(NC(=O)CC2SC(N3CCCC3)=NC2=O)cc1
InChIInChI=1S/C26H27F2N5O4S/c1-2-32(15-22(35)30-23-18(27)6-5-7-19(23)28)25(37)16-8-10-17(11-9-16)29-21(34)14-20-24(36)31-26(38-20)33-12-3-4-13-33/h5-11,20H,2-4,12-15H2,1H3,(H,29,34)(H,30,35)
InChIKeyNXUOUZFSIKKYOH-UHFFFAOYSA-N
XLogP3.49
TPSA111.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500543.60
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-4-[[2-(4-oxo-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide with MolForge

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Related Compounds

4-[[2-[(5R)-4-oxo-2-pyrrolidin-1-yl-1,3-thiazol-5-yl]acetyl]amino]-N,N-dipropylbenzamide
CID 39963574
N-[2-(diethylamino)ethyl]-4-[[2-(4-oxo-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide
CID 55378354
4-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]-N,N-di(propan-2-yl)benzamide
CID 56530406
N-ethyl-4-[[2-(4-oxo-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide
CID 24982889
N,N-bis(2-methoxyethyl)-4-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide
CID 55378379
N-butyl-N-ethyl-3-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide
CID 46549672
N-methyl-4-[[2-[(5S)-4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl]acetyl]amino]benzamide
CID 7612288
N-[(3-fluorophenyl)methyl]-4-[[2-(4-oxo-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide
CID 46590082
N-[4-(azetidine-1-carbonyl)phenyl]-2-[(5S)-4-oxo-2-pyrrolidin-1-yl-1,3-thiazol-5-yl]acetamide
CID 7612301
N-[(2R)-butan-2-yl]-4-[[2-[(5S)-4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl]acetyl]amino]benzamide
CID 9441013
[(1S)-1-cyanoethyl] 4-[[2-[(5R)-4-oxo-2-pyrrolidin-1-yl-1,3-thiazol-5-yl]acetyl]amino]benzoate
CID 8600881
N-butyl-N-methyl-3-[[2-[(5S)-4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl]acetyl]amino]benzamide
CID 26010248

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-4-[[2-(4-oxo-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide?
The IUPAC name of N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-4-[[2-(4-oxo-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide (CID 24981139) is N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-4-[[2-(4-oxo-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide.
What is the SMILES notation for N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-4-[[2-(4-oxo-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide?
The canonical SMILES for N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-4-[[2-(4-oxo-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide is CCN(CC(=O)Nc1c(F)cccc1F)C(=O)c1ccc(NC(=O)CC2SC(N3CCCC3)=NC2=O)cc1.
What is the InChIKey of N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-4-[[2-(4-oxo-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide?
The InChIKey is NXUOUZFSIKKYOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27F2N5O4S/c1-2-32(15-22(35)30-23-18(27)6-5-7-19(23)28)25(37)16-8-10-17(11-9-16)29-21(34)14-20-24(36)31-26(38-20)33-12-3-4-13-33/h5-11,20H,2-4,12-15H2,1H3,(H,29,34)(H,30,35).
What are the key properties of N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-4-[[2-(4-oxo-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide?
N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-4-[[2-(4-oxo-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide has a molecular weight of 543.60 g/mol, XLogP of 3.49, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-4-[[2-(4-oxo-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide is sourced from PubChem (CID 24981139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).