2-[[2-(4-tert-butylphenoxy)acetyl]amino]-N-(1,3-thiazol-2-yl)benzamide

C22H23N3O3S — CID 17361130

IUPAC2-[[2-(4-tert-butylphenoxy)acetyl]amino]-N-(1,3-thiazol-2-yl)benzamide
SMILESCC(C)(C)c1ccc(OCC(=O)Nc2ccccc2C(=O)Nc2nccs2)cc1
InChIInChI=1S/C22H23N3O3S/c1-22(2,3)15-8-10-16(11-9-15)28-14-19(26)24-18-7-5-4-6-17(18)20(27)25-21-23-12-13-29-21/h4-13H,14H2,1-3H3,(H,24,26)(H,23,25,27)
InChIKeyVVJZMTRZBWKWEY-UHFFFAOYSA-N
MW409.51 g/mol
LogP4.71
Rot. Bonds6

About 2-[[2-(4-tert-butylphenoxy)acetyl]amino]-N-(1,3-thiazol-2-yl)benzamide

2-[[2-(4-tert-butylphenoxy)acetyl]amino]-N-(1,3-thiazol-2-yl)benzamide (PubChem CID 17361130) has the molecular formula C22H23N3O3S and a molecular weight of 409.51 g/mol. Its IUPAC name is 2-[[2-(4-tert-butylphenoxy)acetyl]amino]-N-(1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name2-[[2-(4-tert-butylphenoxy)acetyl]amino]-N-(1,3-thiazol-2-yl)benzamide
PubChem CID17361130
Molecular FormulaC22H23N3O3S
Molecular Weight409.51 g/mol
Exact Mass409.15
IUPAC Name2-[[2-(4-tert-butylphenoxy)acetyl]amino]-N-(1,3-thiazol-2-yl)benzamide
SMILESCC(C)(C)c1ccc(OCC(=O)Nc2ccccc2C(=O)Nc2nccs2)cc1
InChIInChI=1S/C22H23N3O3S/c1-22(2,3)15-8-10-16(11-9-15)28-14-19(26)24-18-7-5-4-6-17(18)20(27)25-21-23-12-13-29-21/h4-13H,14H2,1-3H3,(H,24,26)(H,23,25,27)
InChIKeyVVJZMTRZBWKWEY-UHFFFAOYSA-N
XLogP4.71
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.51
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[2-[[2-(4-tert-butylphenoxy)acetyl]amino]benzoyl]amino]benzoic acid
CID 1230927
2-[2-(2-methoxyanilino)-2-oxoethoxy]-N-(1,3-thiazol-2-yl)benzamide
CID 1301072
4-[[2-[4-(2-methylbutan-2-yl)phenoxy]acetyl]amino]-N-(1,3-thiazol-2-yl)benzamide
CID 17361539
2-[(2-methoxybenzoyl)amino]-N-(1,3-thiazol-2-yl)benzamide
CID 17361063
2-(4-methoxyanilino)-N-(1,3-thiazol-2-yl)benzamide
CID 52612392
3,5-dimethoxy-N-[2-(1,3-thiazol-2-ylcarbamoyl)phenyl]benzamide
CID 17361080
N-ethyl-2-[[2-[4-(2-methylbutan-2-yl)phenoxy]acetyl]amino]benzamide
CID 17093296
2-[[2-(4-tert-butylphenoxy)acetyl]carbamothioylamino]-N-phenylbenzamide
CID 5118088
2-[[2-(4-chlorophenoxy)acetyl]amino]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide
CID 17311918
2-(propan-2-ylamino)-N-(1,3-thiazol-2-yl)benzamide
CID 63107522
2-[2-(4-methylphenoxy)propanoylamino]-N-(1,3-thiazol-2-yl)benzamide
CID 17361272
2-(2-methylpentanoylamino)-N-(1,3-thiazol-2-yl)benzamide
CID 17358961

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-tert-butylphenoxy)acetyl]amino]-N-(1,3-thiazol-2-yl)benzamide?
The IUPAC name of 2-[[2-(4-tert-butylphenoxy)acetyl]amino]-N-(1,3-thiazol-2-yl)benzamide (CID 17361130) is 2-[[2-(4-tert-butylphenoxy)acetyl]amino]-N-(1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 2-[[2-(4-tert-butylphenoxy)acetyl]amino]-N-(1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 2-[[2-(4-tert-butylphenoxy)acetyl]amino]-N-(1,3-thiazol-2-yl)benzamide is CC(C)(C)c1ccc(OCC(=O)Nc2ccccc2C(=O)Nc2nccs2)cc1.
What is the InChIKey of 2-[[2-(4-tert-butylphenoxy)acetyl]amino]-N-(1,3-thiazol-2-yl)benzamide?
The InChIKey is VVJZMTRZBWKWEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3S/c1-22(2,3)15-8-10-16(11-9-15)28-14-19(26)24-18-7-5-4-6-17(18)20(27)25-21-23-12-13-29-21/h4-13H,14H2,1-3H3,(H,24,26)(H,23,25,27).
What are the key properties of 2-[[2-(4-tert-butylphenoxy)acetyl]amino]-N-(1,3-thiazol-2-yl)benzamide?
2-[[2-(4-tert-butylphenoxy)acetyl]amino]-N-(1,3-thiazol-2-yl)benzamide has a molecular weight of 409.51 g/mol, XLogP of 4.71, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-tert-butylphenoxy)acetyl]amino]-N-(1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 17361130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).