4-fluoro-N-[3-methyl-1-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethylamino]-1-oxobutan-2-yl]benzamide

C24H26FN3O2S — CID 55434435

IUPAC4-fluoro-N-[3-methyl-1-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethylamino]-1-oxobutan-2-yl]benzamide
SMILESCc1nc(-c2ccc(CCNC(=O)C(NC(=O)c3ccc(F)cc3)C(C)C)cc2)cs1
InChIInChI=1S/C24H26FN3O2S/c1-15(2)22(28-23(29)19-8-10-20(25)11-9-19)24(30)26-13-12-17-4-6-18(7-5-17)21-14-31-16(3)27-21/h4-11,14-15,22H,12-13H2,1-3H3,(H,26,30)(H,28,29)
InChIKeyNWHGQUKFFAUKDK-UHFFFAOYSA-N
MW439.56 g/mol
LogP4.37
Rot. Bonds8

About 4-fluoro-N-[3-methyl-1-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethylamino]-1-oxobutan-2-yl]benzamide

4-fluoro-N-[3-methyl-1-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethylamino]-1-oxobutan-2-yl]benzamide (PubChem CID 55434435) has the molecular formula C24H26FN3O2S and a molecular weight of 439.56 g/mol. Its IUPAC name is 4-fluoro-N-[3-methyl-1-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethylamino]-1-oxobutan-2-yl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[3-methyl-1-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethylamino]-1-oxobutan-2-yl]benzamide
PubChem CID55434435
Molecular FormulaC24H26FN3O2S
Molecular Weight439.56 g/mol
Exact Mass439.17
IUPAC Name4-fluoro-N-[3-methyl-1-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethylamino]-1-oxobutan-2-yl]benzamide
SMILESCc1nc(-c2ccc(CCNC(=O)C(NC(=O)c3ccc(F)cc3)C(C)C)cc2)cs1
InChIInChI=1S/C24H26FN3O2S/c1-15(2)22(28-23(29)19-8-10-20(25)11-9-19)24(30)26-13-12-17-4-6-18(7-5-17)21-14-31-16(3)27-21/h4-11,14-15,22H,12-13H2,1-3H3,(H,26,30)(H,28,29)
InChIKeyNWHGQUKFFAUKDK-UHFFFAOYSA-N
XLogP4.37
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.56
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluoro-N-[1-[2-(4-methoxyphenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 51157888
4-ethyl-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]benzamide
CID 16568166
3-methyl-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]butanamide
CID 51248570
4-methoxy-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]benzamide
CID 55434098
2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]acetamide
CID 16568239
N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]benzamide;hydrochloride
CID 52984164
5-(4-fluorophenyl)-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]-1H-pyrazole-4-carboxamide
CID 16599700
4-cyano-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]benzamide
CID 16568157
N-[1-[(4-fluorophenyl)methylamino]-3-methyl-1-oxobutan-2-yl]-4-methylbenzamide
CID 3911653
(2S)-2-amino-3,3-dimethyl-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]butanamide;dihydrochloride
CID 119837217
N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]-6-oxo-1H-pyridine-3-carboxamide
CID 24552868
4-methoxy-N-[1-[2-(4-methoxyphenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 51157879

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[3-methyl-1-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethylamino]-1-oxobutan-2-yl]benzamide?
The IUPAC name of 4-fluoro-N-[3-methyl-1-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethylamino]-1-oxobutan-2-yl]benzamide (CID 55434435) is 4-fluoro-N-[3-methyl-1-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethylamino]-1-oxobutan-2-yl]benzamide.
What is the SMILES notation for 4-fluoro-N-[3-methyl-1-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethylamino]-1-oxobutan-2-yl]benzamide?
The canonical SMILES for 4-fluoro-N-[3-methyl-1-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethylamino]-1-oxobutan-2-yl]benzamide is Cc1nc(-c2ccc(CCNC(=O)C(NC(=O)c3ccc(F)cc3)C(C)C)cc2)cs1.
What is the InChIKey of 4-fluoro-N-[3-methyl-1-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethylamino]-1-oxobutan-2-yl]benzamide?
The InChIKey is NWHGQUKFFAUKDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN3O2S/c1-15(2)22(28-23(29)19-8-10-20(25)11-9-19)24(30)26-13-12-17-4-6-18(7-5-17)21-14-31-16(3)27-21/h4-11,14-15,22H,12-13H2,1-3H3,(H,26,30)(H,28,29).
What are the key properties of 4-fluoro-N-[3-methyl-1-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethylamino]-1-oxobutan-2-yl]benzamide?
4-fluoro-N-[3-methyl-1-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethylamino]-1-oxobutan-2-yl]benzamide has a molecular weight of 439.56 g/mol, XLogP of 4.37, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[3-methyl-1-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethylamino]-1-oxobutan-2-yl]benzamide is sourced from PubChem (CID 55434435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).