2-[2-(4-methylphenoxy)propanoylamino]-N-(1,3-thiazol-2-yl)benzamide

C20H19N3O3S — CID 17361272

IUPAC2-[2-(4-methylphenoxy)propanoylamino]-N-(1,3-thiazol-2-yl)benzamide
SMILESCc1ccc(OC(C)C(=O)Nc2ccccc2C(=O)Nc2nccs2)cc1
InChIInChI=1S/C20H19N3O3S/c1-13-7-9-15(10-8-13)26-14(2)18(24)22-17-6-4-3-5-16(17)19(25)23-20-21-11-12-27-20/h3-12,14H,1-2H3,(H,22,24)(H,21,23,25)
InChIKeyKQSPVXTVAAGLHK-UHFFFAOYSA-N
MW381.46 g/mol
LogP4.11
Rot. Bonds6

About 2-[2-(4-methylphenoxy)propanoylamino]-N-(1,3-thiazol-2-yl)benzamide

2-[2-(4-methylphenoxy)propanoylamino]-N-(1,3-thiazol-2-yl)benzamide (PubChem CID 17361272) has the molecular formula C20H19N3O3S and a molecular weight of 381.46 g/mol. Its IUPAC name is 2-[2-(4-methylphenoxy)propanoylamino]-N-(1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name2-[2-(4-methylphenoxy)propanoylamino]-N-(1,3-thiazol-2-yl)benzamide
PubChem CID17361272
Molecular FormulaC20H19N3O3S
Molecular Weight381.46 g/mol
Exact Mass381.11
IUPAC Name2-[2-(4-methylphenoxy)propanoylamino]-N-(1,3-thiazol-2-yl)benzamide
SMILESCc1ccc(OC(C)C(=O)Nc2ccccc2C(=O)Nc2nccs2)cc1
InChIInChI=1S/C20H19N3O3S/c1-13-7-9-15(10-8-13)26-14(2)18(24)22-17-6-4-3-5-16(17)19(25)23-20-21-11-12-27-20/h3-12,14H,1-2H3,(H,22,24)(H,21,23,25)
InChIKeyKQSPVXTVAAGLHK-UHFFFAOYSA-N
XLogP4.11
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.46
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(4-chlorophenoxy)propanoylamino]-N-(1,3-thiazol-2-yl)benzamide
CID 17361278
2-phenoxy-N-(1,3-thiazol-2-yl)propanamide
CID 4279674
2-[[(2S)-2-(4-methylphenoxy)propanoyl]amino]-N-[(1R)-1-phenylethyl]benzamide
CID 42426832
2-(2-methylpentanoylamino)-N-(1,3-thiazol-2-yl)benzamide
CID 17358961
(2R)-2-(4-methylphenoxy)-N-[2-[[(2S)-2-(4-methylphenoxy)propanoyl]amino]phenyl]propanamide
CID 1019889
(2R)-2-(4-methoxyphenoxy)-N-(1,3-thiazol-2-yl)propanamide
CID 719476
2-[[(2S)-2-(4-methylphenoxy)propanoyl]amino]benzamide
CID 7371907
2-[(2-methoxybenzoyl)amino]-N-(1,3-thiazol-2-yl)benzamide
CID 17361063
N-(3,4-dimethylphenyl)-2-[2-(4-methylphenoxy)propanoylamino]benzamide
CID 4944490
N-cyclohexyl-2-[[(2R)-2-(4-methylphenoxy)propanoyl]amino]benzamide
CID 2236056
N-(2-methoxyethyl)-2-[[(2S)-2-(4-methylphenoxy)propanoyl]amino]benzamide
CID 9173265
2-(4-methoxyanilino)-N-(1,3-thiazol-2-yl)benzamide
CID 52612392

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methylphenoxy)propanoylamino]-N-(1,3-thiazol-2-yl)benzamide?
The IUPAC name of 2-[2-(4-methylphenoxy)propanoylamino]-N-(1,3-thiazol-2-yl)benzamide (CID 17361272) is 2-[2-(4-methylphenoxy)propanoylamino]-N-(1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 2-[2-(4-methylphenoxy)propanoylamino]-N-(1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 2-[2-(4-methylphenoxy)propanoylamino]-N-(1,3-thiazol-2-yl)benzamide is Cc1ccc(OC(C)C(=O)Nc2ccccc2C(=O)Nc2nccs2)cc1.
What is the InChIKey of 2-[2-(4-methylphenoxy)propanoylamino]-N-(1,3-thiazol-2-yl)benzamide?
The InChIKey is KQSPVXTVAAGLHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3S/c1-13-7-9-15(10-8-13)26-14(2)18(24)22-17-6-4-3-5-16(17)19(25)23-20-21-11-12-27-20/h3-12,14H,1-2H3,(H,22,24)(H,21,23,25).
What are the key properties of 2-[2-(4-methylphenoxy)propanoylamino]-N-(1,3-thiazol-2-yl)benzamide?
2-[2-(4-methylphenoxy)propanoylamino]-N-(1,3-thiazol-2-yl)benzamide has a molecular weight of 381.46 g/mol, XLogP of 4.11, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methylphenoxy)propanoylamino]-N-(1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 17361272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).