N-[2-(4-methylphenoxy)phenyl]-2-[[(2R)-2-(1,3-thiazol-2-yl)butan-2-yl]amino]acetamide

C22H25N3O2S — CID 95783742

IUPACN-[2-(4-methylphenoxy)phenyl]-2-[[(2R)-2-(1,3-thiazol-2-yl)butan-2-yl]amino]acetamide
SMILESCC[C@@](C)(NCC(=O)Nc1ccccc1Oc1ccc(C)cc1)c1nccs1
InChIInChI=1S/C22H25N3O2S/c1-4-22(3,21-23-13-14-28-21)24-15-20(26)25-18-7-5-6-8-19(18)27-17-11-9-16(2)10-12-17/h5-14,24H,4,15H2,1-3H3,(H,25,26)/t22-/m1/s1
InChIKeyVTRXQTBWOLKWDS-JOCHJYFZSA-N
MW395.53 g/mol
LogP5.10
Rot. Bonds8

About N-[2-(4-methylphenoxy)phenyl]-2-[[(2R)-2-(1,3-thiazol-2-yl)butan-2-yl]amino]acetamide

N-[2-(4-methylphenoxy)phenyl]-2-[[(2R)-2-(1,3-thiazol-2-yl)butan-2-yl]amino]acetamide (PubChem CID 95783742) has the molecular formula C22H25N3O2S and a molecular weight of 395.53 g/mol. Its IUPAC name is N-[2-(4-methylphenoxy)phenyl]-2-[[(2R)-2-(1,3-thiazol-2-yl)butan-2-yl]amino]acetamide.

Molecular Properties

Compound NameN-[2-(4-methylphenoxy)phenyl]-2-[[(2R)-2-(1,3-thiazol-2-yl)butan-2-yl]amino]acetamide
PubChem CID95783742
Molecular FormulaC22H25N3O2S
Molecular Weight395.53 g/mol
Exact Mass395.17
IUPAC NameN-[2-(4-methylphenoxy)phenyl]-2-[[(2R)-2-(1,3-thiazol-2-yl)butan-2-yl]amino]acetamide
SMILESCC[C@@](C)(NCC(=O)Nc1ccccc1Oc1ccc(C)cc1)c1nccs1
InChIInChI=1S/C22H25N3O2S/c1-4-22(3,21-23-13-14-28-21)24-15-20(26)25-18-7-5-6-8-19(18)27-17-11-9-16(2)10-12-17/h5-14,24H,4,15H2,1-3H3,(H,25,26)/t22-/m1/s1
InChIKeyVTRXQTBWOLKWDS-JOCHJYFZSA-N
XLogP5.10
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.53
LogP ≤ 55.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-phenoxyphenyl)-2-(1,3-thiazol-2-ylamino)acetamide
CID 110694157
N-[(3-methylthiophen-2-yl)methyl]-2-[2-(1,3-thiazol-2-yl)butan-2-ylamino]acetamide
CID 71868953
2-(4-fluorophenoxy)-N-[2-(4-methylphenoxy)phenyl]acetamide
CID 24681386
2-bromo-2-methyl-N-[2-(4-methylphenoxy)phenyl]propanamide
CID 114327448
3-(4-methylanilino)-N-(2-phenoxyphenyl)propanamide
CID 109034509
2-(4-chlorophenoxy)-N-[2-(4-methylphenoxy)phenyl]acetamide
CID 7925670
N-(2-methoxyphenyl)-2-(2-phenoxyanilino)acetamide
CID 7922855
N-[2-[2-(4-ethoxyphenoxy)anilino]-2-oxoethyl]-3,3-dimethylbutanamide
CID 60567011
2-fluoro-N-[2-[2-(4-methylphenoxy)anilino]-2-oxoethyl]benzamide
CID 17421842
4-[2-(4-ethoxyphenoxy)anilino]-2,2-dimethyl-4-oxobutanoic acid
CID 119133553
N'-(4-methylphenyl)-N-[2-oxo-2-(2-phenoxyanilino)ethyl]oxamide
CID 17489902
3-acetamido-N-[2-(4-methylphenoxy)phenyl]propanamide
CID 38505087

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylphenoxy)phenyl]-2-[[(2R)-2-(1,3-thiazol-2-yl)butan-2-yl]amino]acetamide?
The IUPAC name of N-[2-(4-methylphenoxy)phenyl]-2-[[(2R)-2-(1,3-thiazol-2-yl)butan-2-yl]amino]acetamide (CID 95783742) is N-[2-(4-methylphenoxy)phenyl]-2-[[(2R)-2-(1,3-thiazol-2-yl)butan-2-yl]amino]acetamide.
What is the SMILES notation for N-[2-(4-methylphenoxy)phenyl]-2-[[(2R)-2-(1,3-thiazol-2-yl)butan-2-yl]amino]acetamide?
The canonical SMILES for N-[2-(4-methylphenoxy)phenyl]-2-[[(2R)-2-(1,3-thiazol-2-yl)butan-2-yl]amino]acetamide is CC[C@@](C)(NCC(=O)Nc1ccccc1Oc1ccc(C)cc1)c1nccs1.
What is the InChIKey of N-[2-(4-methylphenoxy)phenyl]-2-[[(2R)-2-(1,3-thiazol-2-yl)butan-2-yl]amino]acetamide?
The InChIKey is VTRXQTBWOLKWDS-JOCHJYFZSA-N. The full InChI is InChI=1S/C22H25N3O2S/c1-4-22(3,21-23-13-14-28-21)24-15-20(26)25-18-7-5-6-8-19(18)27-17-11-9-16(2)10-12-17/h5-14,24H,4,15H2,1-3H3,(H,25,26)/t22-/m1/s1.
What are the key properties of N-[2-(4-methylphenoxy)phenyl]-2-[[(2R)-2-(1,3-thiazol-2-yl)butan-2-yl]amino]acetamide?
N-[2-(4-methylphenoxy)phenyl]-2-[[(2R)-2-(1,3-thiazol-2-yl)butan-2-yl]amino]acetamide has a molecular weight of 395.53 g/mol, XLogP of 5.10, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylphenoxy)phenyl]-2-[[(2R)-2-(1,3-thiazol-2-yl)butan-2-yl]amino]acetamide is sourced from PubChem (CID 95783742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).