4-fluoro-N-[3-methyl-1-[4-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonyl]piperazin-1-yl]-1-oxobutan-2-yl]benzamide

C20H25FN4O5S2 — CID 16623116

IUPAC4-fluoro-N-[3-methyl-1-[4-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonyl]piperazin-1-yl]-1-oxobutan-2-yl]benzamide
SMILESCc1[nH]c(=O)sc1S(=O)(=O)N1CCN(C(=O)C(NC(=O)c2ccc(F)cc2)C(C)C)CC1
InChIInChI=1S/C20H25FN4O5S2/c1-12(2)16(23-17(26)14-4-6-15(21)7-5-14)18(27)24-8-10-25(11-9-24)32(29,30)19-13(3)22-20(28)31-19/h4-7,12,16H,8-11H2,1-3H3,(H,22,28)(H,23,26)
InChIKeyRDDAKOAWCWTTNC-UHFFFAOYSA-N
MW484.58 g/mol
LogP1.17
Rot. Bonds6

About 4-fluoro-N-[3-methyl-1-[4-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonyl]piperazin-1-yl]-1-oxobutan-2-yl]benzamide

4-fluoro-N-[3-methyl-1-[4-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonyl]piperazin-1-yl]-1-oxobutan-2-yl]benzamide (PubChem CID 16623116) has the molecular formula C20H25FN4O5S2 and a molecular weight of 484.58 g/mol. Its IUPAC name is 4-fluoro-N-[3-methyl-1-[4-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonyl]piperazin-1-yl]-1-oxobutan-2-yl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[3-methyl-1-[4-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonyl]piperazin-1-yl]-1-oxobutan-2-yl]benzamide
PubChem CID16623116
Molecular FormulaC20H25FN4O5S2
Molecular Weight484.58 g/mol
Exact Mass484.13
IUPAC Name4-fluoro-N-[3-methyl-1-[4-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonyl]piperazin-1-yl]-1-oxobutan-2-yl]benzamide
SMILESCc1[nH]c(=O)sc1S(=O)(=O)N1CCN(C(=O)C(NC(=O)c2ccc(F)cc2)C(C)C)CC1
InChIInChI=1S/C20H25FN4O5S2/c1-12(2)16(23-17(26)14-4-6-15(21)7-5-14)18(27)24-8-10-25(11-9-24)32(29,30)19-13(3)22-20(28)31-19/h4-7,12,16H,8-11H2,1-3H3,(H,22,28)(H,23,26)
InChIKeyRDDAKOAWCWTTNC-UHFFFAOYSA-N
XLogP1.17
TPSA119.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.58
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-fluoro-N-[3-methyl-1-[4-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonyl]piperazin-1-yl]-1-oxobutan-2-yl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-fluoro-N-[3-methyl-1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-1-oxobutan-2-yl]benzamide
CID 4883770
N-[(2S)-1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide
CID 24537442
N-[1-[4-(2-hydroxy-5-methylphenyl)sulfonylpiperazin-1-yl]-3-methyl-1-oxobutan-2-yl]-4-methylbenzamide
CID 55863794
2,6-difluoro-N-[(2R)-1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-3-methyl-1-oxobutan-2-yl]benzamide
CID 41091567
4-fluoro-N-[(2S)-3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl]benzamide
CID 9104538
4-tert-butyl-N-[3-methyl-1-(4-methylsulfonylpiperazin-1-yl)-1-oxobutan-2-yl]benzamide
CID 55437877
4-methyl-5-[4-[4-(trifluoromethylsulfanyl)benzoyl]piperazin-1-yl]sulfonyl-3H-1,3-thiazol-2-one
CID 16616036
4-methyl-5-[4-[(2R)-2-phenyl-2-phenylsulfanylacetyl]piperazin-1-yl]sulfonyl-3H-1,3-thiazol-2-one
CID 26262701
N-[(2S)-1-[4-(4-acetylphenyl)piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]-4-fluorobenzamide
CID 7774591
5-[4-(5-acetylthiophene-2-carbonyl)piperazin-1-yl]sulfonyl-4-methyl-3H-1,3-thiazol-2-one
CID 18288944
N-[1-[4-(4-fluorophenyl)-1,4-diazepan-1-yl]-3-methyl-1-oxobutan-2-yl]-4-methylbenzamide
CID 87029912
N-(3-chloro-4-methylphenyl)-4-[2-[(4-fluorobenzoyl)amino]-3-methylbutanoyl]piperazine-1-carboxamide
CID 55769078

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[3-methyl-1-[4-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonyl]piperazin-1-yl]-1-oxobutan-2-yl]benzamide?
The IUPAC name of 4-fluoro-N-[3-methyl-1-[4-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonyl]piperazin-1-yl]-1-oxobutan-2-yl]benzamide (CID 16623116) is 4-fluoro-N-[3-methyl-1-[4-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonyl]piperazin-1-yl]-1-oxobutan-2-yl]benzamide.
What is the SMILES notation for 4-fluoro-N-[3-methyl-1-[4-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonyl]piperazin-1-yl]-1-oxobutan-2-yl]benzamide?
The canonical SMILES for 4-fluoro-N-[3-methyl-1-[4-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonyl]piperazin-1-yl]-1-oxobutan-2-yl]benzamide is Cc1[nH]c(=O)sc1S(=O)(=O)N1CCN(C(=O)C(NC(=O)c2ccc(F)cc2)C(C)C)CC1.
What is the InChIKey of 4-fluoro-N-[3-methyl-1-[4-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonyl]piperazin-1-yl]-1-oxobutan-2-yl]benzamide?
The InChIKey is RDDAKOAWCWTTNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN4O5S2/c1-12(2)16(23-17(26)14-4-6-15(21)7-5-14)18(27)24-8-10-25(11-9-24)32(29,30)19-13(3)22-20(28)31-19/h4-7,12,16H,8-11H2,1-3H3,(H,22,28)(H,23,26).
What are the key properties of 4-fluoro-N-[3-methyl-1-[4-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonyl]piperazin-1-yl]-1-oxobutan-2-yl]benzamide?
4-fluoro-N-[3-methyl-1-[4-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonyl]piperazin-1-yl]-1-oxobutan-2-yl]benzamide has a molecular weight of 484.58 g/mol, XLogP of 1.17, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[3-methyl-1-[4-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonyl]piperazin-1-yl]-1-oxobutan-2-yl]benzamide is sourced from PubChem (CID 16623116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).