4-methyl-N-[(2S)-3-methyl-1-oxo-1-[4-(1,3-thiazol-2-yl)anilino]butan-2-yl]benzamide

C22H23N3O2S — CID 55943190

IUPAC4-methyl-N-[(2S)-3-methyl-1-oxo-1-[4-(1,3-thiazol-2-yl)anilino]butan-2-yl]benzamide
SMILESCc1ccc(C(=O)N[C@H](C(=O)Nc2ccc(-c3nccs3)cc2)C(C)C)cc1
InChIInChI=1S/C22H23N3O2S/c1-14(2)19(25-20(26)16-6-4-15(3)5-7-16)21(27)24-18-10-8-17(9-11-18)22-23-12-13-28-22/h4-14,19H,1-3H3,(H,24,27)(H,25,26)/t19-/m0/s1
InChIKeyOCPDFWHTCJHKGZ-IBGZPJMESA-N
MW393.51 g/mol
LogP4.51
Rot. Bonds6

About 4-methyl-N-[(2S)-3-methyl-1-oxo-1-[4-(1,3-thiazol-2-yl)anilino]butan-2-yl]benzamide

4-methyl-N-[(2S)-3-methyl-1-oxo-1-[4-(1,3-thiazol-2-yl)anilino]butan-2-yl]benzamide (PubChem CID 55943190) has the molecular formula C22H23N3O2S and a molecular weight of 393.51 g/mol. Its IUPAC name is 4-methyl-N-[(2S)-3-methyl-1-oxo-1-[4-(1,3-thiazol-2-yl)anilino]butan-2-yl]benzamide.

Molecular Properties

Compound Name4-methyl-N-[(2S)-3-methyl-1-oxo-1-[4-(1,3-thiazol-2-yl)anilino]butan-2-yl]benzamide
PubChem CID55943190
Molecular FormulaC22H23N3O2S
Molecular Weight393.51 g/mol
Exact Mass393.15
IUPAC Name4-methyl-N-[(2S)-3-methyl-1-oxo-1-[4-(1,3-thiazol-2-yl)anilino]butan-2-yl]benzamide
SMILESCc1ccc(C(=O)N[C@H](C(=O)Nc2ccc(-c3nccs3)cc2)C(C)C)cc1
InChIInChI=1S/C22H23N3O2S/c1-14(2)19(25-20(26)16-6-4-15(3)5-7-16)21(27)24-18-10-8-17(9-11-18)22-23-12-13-28-22/h4-14,19H,1-3H3,(H,24,27)(H,25,26)/t19-/m0/s1
InChIKeyOCPDFWHTCJHKGZ-IBGZPJMESA-N
XLogP4.51
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.51
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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2-chloro-N-[3-methyl-1-oxo-1-[4-(1,3-thiazol-2-yl)anilino]butan-2-yl]-4-nitrobenzamide
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4-ethoxy-N-[3-methyl-1-(4-methylanilino)-1-oxobutan-2-yl]benzamide
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CID 103928998
4-methyl-N-[(2S)-3-methyl-1-[(4-methyl-1,3-thiazol-2-yl)amino]-1-oxobutan-2-yl]benzamide
CID 2679236
4-amino-N-[4-(1,3-thiazol-2-yl)phenyl]benzamide
CID 60926943
4-fluoro-N-[(2R)-1-(4-fluoroanilino)-3-methyl-1-oxobutan-2-yl]benzamide
CID 95264771
4-methyl-N-[3-methyl-1-oxo-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]butan-2-yl]benzamide
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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(2S)-3-methyl-1-oxo-1-[4-(1,3-thiazol-2-yl)anilino]butan-2-yl]benzamide?
The IUPAC name of 4-methyl-N-[(2S)-3-methyl-1-oxo-1-[4-(1,3-thiazol-2-yl)anilino]butan-2-yl]benzamide (CID 55943190) is 4-methyl-N-[(2S)-3-methyl-1-oxo-1-[4-(1,3-thiazol-2-yl)anilino]butan-2-yl]benzamide.
What is the SMILES notation for 4-methyl-N-[(2S)-3-methyl-1-oxo-1-[4-(1,3-thiazol-2-yl)anilino]butan-2-yl]benzamide?
The canonical SMILES for 4-methyl-N-[(2S)-3-methyl-1-oxo-1-[4-(1,3-thiazol-2-yl)anilino]butan-2-yl]benzamide is Cc1ccc(C(=O)N[C@H](C(=O)Nc2ccc(-c3nccs3)cc2)C(C)C)cc1.
What is the InChIKey of 4-methyl-N-[(2S)-3-methyl-1-oxo-1-[4-(1,3-thiazol-2-yl)anilino]butan-2-yl]benzamide?
The InChIKey is OCPDFWHTCJHKGZ-IBGZPJMESA-N. The full InChI is InChI=1S/C22H23N3O2S/c1-14(2)19(25-20(26)16-6-4-15(3)5-7-16)21(27)24-18-10-8-17(9-11-18)22-23-12-13-28-22/h4-14,19H,1-3H3,(H,24,27)(H,25,26)/t19-/m0/s1.
What are the key properties of 4-methyl-N-[(2S)-3-methyl-1-oxo-1-[4-(1,3-thiazol-2-yl)anilino]butan-2-yl]benzamide?
4-methyl-N-[(2S)-3-methyl-1-oxo-1-[4-(1,3-thiazol-2-yl)anilino]butan-2-yl]benzamide has a molecular weight of 393.51 g/mol, XLogP of 4.51, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(2S)-3-methyl-1-oxo-1-[4-(1,3-thiazol-2-yl)anilino]butan-2-yl]benzamide is sourced from PubChem (CID 55943190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).