2-methoxy-N-[3-methyl-1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]butan-2-yl]benzamide

C22H23N3O3S — CID 112760590

IUPAC2-methoxy-N-[3-methyl-1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]butan-2-yl]benzamide
SMILESCOc1ccccc1C(=O)NC(C(=O)Nc1nc(-c2ccccc2)cs1)C(C)C
InChIInChI=1S/C22H23N3O3S/c1-14(2)19(24-20(26)16-11-7-8-12-18(16)28-3)21(27)25-22-23-17(13-29-22)15-9-5-4-6-10-15/h4-14,19H,1-3H3,(H,24,26)(H,23,25,27)
InChIKeyCOLQWNLNNVKRKY-UHFFFAOYSA-N
MW409.51 g/mol
LogP4.21
Rot. Bonds7

About 2-methoxy-N-[3-methyl-1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]butan-2-yl]benzamide

2-methoxy-N-[3-methyl-1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]butan-2-yl]benzamide (PubChem CID 112760590) has the molecular formula C22H23N3O3S and a molecular weight of 409.51 g/mol. Its IUPAC name is 2-methoxy-N-[3-methyl-1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]butan-2-yl]benzamide.

Molecular Properties

Compound Name2-methoxy-N-[3-methyl-1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]butan-2-yl]benzamide
PubChem CID112760590
Molecular FormulaC22H23N3O3S
Molecular Weight409.51 g/mol
Exact Mass409.15
IUPAC Name2-methoxy-N-[3-methyl-1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]butan-2-yl]benzamide
SMILESCOc1ccccc1C(=O)NC(C(=O)Nc1nc(-c2ccccc2)cs1)C(C)C
InChIInChI=1S/C22H23N3O3S/c1-14(2)19(24-20(26)16-11-7-8-12-18(16)28-3)21(27)25-22-23-17(13-29-22)15-9-5-4-6-10-15/h4-14,19H,1-3H3,(H,24,26)(H,23,25,27)
InChIKeyCOLQWNLNNVKRKY-UHFFFAOYSA-N
XLogP4.21
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.51
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3,5-dimethoxy-N-[(2S)-3-methyl-1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]butan-2-yl]benzamide
CID 2479098
2-methoxy-N-[(2R)-3-methyl-1-oxo-1-(1,3-thiazol-2-ylamino)butan-2-yl]benzamide
CID 41259077
[(2S)-1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl] 2,3-dimethoxybenzoate
CID 2503288
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-methoxybenzamide
CID 868787
2-methoxy-N-[4-(4-phenoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 4530772
3-methyl-N-[3-methyl-1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]butan-2-yl]benzamide
CID 112760619
N-[4-[4-[(2R)-butan-2-yl]phenyl]-1,3-thiazol-2-yl]-2-methoxybenzamide
CID 6552731
N-[1-[[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-4-methylbenzamide
CID 56549825
2,5-dimethoxy-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]benzamide
CID 16848702
N-[(2S)-1-(4-iodoanilino)-3-methyl-1-oxobutan-2-yl]-2-methoxybenzamide
CID 29204396
N-[(2S)-1-(4-acetamidoanilino)-3-methyl-1-oxobutan-2-yl]-2-methoxybenzamide
CID 29195554
2-methyl-N-[3-methyl-1-[[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]amino]-1-oxobutan-2-yl]benzamide
CID 112771358

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[3-methyl-1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]butan-2-yl]benzamide?
The IUPAC name of 2-methoxy-N-[3-methyl-1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]butan-2-yl]benzamide (CID 112760590) is 2-methoxy-N-[3-methyl-1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]butan-2-yl]benzamide.
What is the SMILES notation for 2-methoxy-N-[3-methyl-1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]butan-2-yl]benzamide?
The canonical SMILES for 2-methoxy-N-[3-methyl-1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]butan-2-yl]benzamide is COc1ccccc1C(=O)NC(C(=O)Nc1nc(-c2ccccc2)cs1)C(C)C.
What is the InChIKey of 2-methoxy-N-[3-methyl-1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]butan-2-yl]benzamide?
The InChIKey is COLQWNLNNVKRKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3S/c1-14(2)19(24-20(26)16-11-7-8-12-18(16)28-3)21(27)25-22-23-17(13-29-22)15-9-5-4-6-10-15/h4-14,19H,1-3H3,(H,24,26)(H,23,25,27).
What are the key properties of 2-methoxy-N-[3-methyl-1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]butan-2-yl]benzamide?
2-methoxy-N-[3-methyl-1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]butan-2-yl]benzamide has a molecular weight of 409.51 g/mol, XLogP of 4.21, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[3-methyl-1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]butan-2-yl]benzamide is sourced from PubChem (CID 112760590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).