3-(4-methylphenyl)-3-(4-propan-2-yloxyphenyl)-N-(1,3-thiazol-2-yl)propanamide

C22H24N2O2S — CID 2956024

IUPAC3-(4-methylphenyl)-3-(4-propan-2-yloxyphenyl)-N-(1,3-thiazol-2-yl)propanamide
SMILESCc1ccc(C(CC(=O)Nc2nccs2)c2ccc(OC(C)C)cc2)cc1
InChIInChI=1S/C22H24N2O2S/c1-15(2)26-19-10-8-18(9-11-19)20(17-6-4-16(3)5-7-17)14-21(25)24-22-23-12-13-27-22/h4-13,15,20H,14H2,1-3H3,(H,23,24,25)
InChIKeyXIHBFSAVJXGOHN-UHFFFAOYSA-N
MW380.51 g/mol
LogP5.40
Rot. Bonds7

About 3-(4-methylphenyl)-3-(4-propan-2-yloxyphenyl)-N-(1,3-thiazol-2-yl)propanamide

3-(4-methylphenyl)-3-(4-propan-2-yloxyphenyl)-N-(1,3-thiazol-2-yl)propanamide (PubChem CID 2956024) has the molecular formula C22H24N2O2S and a molecular weight of 380.51 g/mol. Its IUPAC name is 3-(4-methylphenyl)-3-(4-propan-2-yloxyphenyl)-N-(1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name3-(4-methylphenyl)-3-(4-propan-2-yloxyphenyl)-N-(1,3-thiazol-2-yl)propanamide
PubChem CID2956024
Molecular FormulaC22H24N2O2S
Molecular Weight380.51 g/mol
Exact Mass380.16
IUPAC Name3-(4-methylphenyl)-3-(4-propan-2-yloxyphenyl)-N-(1,3-thiazol-2-yl)propanamide
SMILESCc1ccc(C(CC(=O)Nc2nccs2)c2ccc(OC(C)C)cc2)cc1
InChIInChI=1S/C22H24N2O2S/c1-15(2)26-19-10-8-18(9-11-19)20(17-6-4-16(3)5-7-17)14-21(25)24-22-23-12-13-27-22/h4-13,15,20H,14H2,1-3H3,(H,23,24,25)
InChIKeyXIHBFSAVJXGOHN-UHFFFAOYSA-N
XLogP5.40
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.51
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(9S)-3-hydroxy-9H-xanthen-9-yl]-2-methyl-N-(1,3-thiazol-2-yl)propanamide
CID 24952192
3-(3-fluoro-4-hydroxyphenyl)-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide
CID 49851366
(3S)-3-(3-fluoro-4-hydroxyphenyl)-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide
CID 49836028
2-naphthalen-2-yloxy-N-(1,3-thiazol-2-yl)acetamide
CID 910281
4-(2,3-dimethylphenoxy)-N-1,3-thiazol-2-ylbutanamide
CID 1575135
3-(3,4-dimethoxyphenyl)-N-(thiazol-2-yl)propanamide
CID 2118575
2-(4-ethoxyphenyl)-N-(1,3-thiazol-2-yl)acetamide
CID 2514833
3-(4-methoxyphenyl)-4-methyl-N-(1,3-thiazol-2-yl)pentanamide
CID 3707305
2-(2,5-dimethylphenoxy)-N-(1,3-thiazol-2-yl)propanamide
CID 4944777
2-((3-cyano-4-(2-ethoxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl)thio)-N-(thiazol-2-yl)acetamide
CID 3142254
2-(7-(2-(dimethylamino)ethoxy)-5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl)-N-(thiazol-2-yl)propanamide
CID 3735492
3-(4-hydroxyphenyl)-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide
CID 46943298

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)-3-(4-propan-2-yloxyphenyl)-N-(1,3-thiazol-2-yl)propanamide?
The IUPAC name of 3-(4-methylphenyl)-3-(4-propan-2-yloxyphenyl)-N-(1,3-thiazol-2-yl)propanamide (CID 2956024) is 3-(4-methylphenyl)-3-(4-propan-2-yloxyphenyl)-N-(1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for 3-(4-methylphenyl)-3-(4-propan-2-yloxyphenyl)-N-(1,3-thiazol-2-yl)propanamide?
The canonical SMILES for 3-(4-methylphenyl)-3-(4-propan-2-yloxyphenyl)-N-(1,3-thiazol-2-yl)propanamide is Cc1ccc(C(CC(=O)Nc2nccs2)c2ccc(OC(C)C)cc2)cc1.
What is the InChIKey of 3-(4-methylphenyl)-3-(4-propan-2-yloxyphenyl)-N-(1,3-thiazol-2-yl)propanamide?
The InChIKey is XIHBFSAVJXGOHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O2S/c1-15(2)26-19-10-8-18(9-11-19)20(17-6-4-16(3)5-7-17)14-21(25)24-22-23-12-13-27-22/h4-13,15,20H,14H2,1-3H3,(H,23,24,25).
What are the key properties of 3-(4-methylphenyl)-3-(4-propan-2-yloxyphenyl)-N-(1,3-thiazol-2-yl)propanamide?
3-(4-methylphenyl)-3-(4-propan-2-yloxyphenyl)-N-(1,3-thiazol-2-yl)propanamide has a molecular weight of 380.51 g/mol, XLogP of 5.40, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)-3-(4-propan-2-yloxyphenyl)-N-(1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 2956024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).