3-(4-methoxyphenyl)-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide

C21H22N2O2S — CID 49851580

IUPAC3-(4-methoxyphenyl)-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide
SMILESCC(C)(C(C1=CC=CC=C1)C2=CC=C(C=C2)OC)C(=O)NC3=NC=CS3
InChIInChI=1S/C21H22N2O2S/c1-21(2,19(24)23-20-22-13-14-26-20)18(15-7-5-4-6-8-15)16-9-11-17(25-3)12-10-16/h4-14,18H,1-3H3,(H,22,23,24)
InChIKeyPNQYBFZDYCCUAN-UHFFFAOYSA-N
MW366.50 g/mol
LogP4.70
Rot. Bonds6

About 3-(4-methoxyphenyl)-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide

3-(4-methoxyphenyl)-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide (PubChem CID 49851580) has the molecular formula C21H22N2O2S and a molecular weight of 366.50 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide
PubChem CID49851580
Molecular FormulaC21H22N2O2S
Molecular Weight366.50 g/mol
Exact Mass366.14
IUPAC Name3-(4-methoxyphenyl)-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide
SMILESCC(C)(C(C1=CC=CC=C1)C2=CC=C(C=C2)OC)C(=O)NC3=NC=CS3
InChIInChI=1S/C21H22N2O2S/c1-21(2,19(24)23-20-22-13-14-26-20)18(15-7-5-4-6-8-15)16-9-11-17(25-3)12-10-16/h4-14,18H,1-3H3,(H,22,23,24)
InChIKeyPNQYBFZDYCCUAN-UHFFFAOYSA-N
XLogP4.70
TPSA79.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity457

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.50
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-N-(1,3-thiazol-2-yl)benzamide
CID 721308
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-bromo-4-hydroxyphenyl)-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide
CID 49851369
(3S)-3-(3-cyano-4-hydroxyphenyl)-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide
CID 49851464
(3S)-3-(3-fluoro-4-hydroxyphenyl)-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide
CID 49836028
4-(2,3-dimethylphenoxy)-N-(1,3-thiazol-2-yl)butanamide
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-({5-[3-(4-methoxyphenyl)propyl]-1,3,4-oxadiazol-2-yl}sulfanyl)-N-(5-methyl-1,3-thiazol-2-yl)acetamide
CID 664166
2-((3-cyano-4-(2-ethoxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl)thio)-N-(thiazol-2-yl)acetamide
CID 3142254

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide?
The IUPAC name of 3-(4-methoxyphenyl)-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide (CID 49851580) is 3-(4-methoxyphenyl)-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for 3-(4-methoxyphenyl)-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide?
The canonical SMILES for 3-(4-methoxyphenyl)-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide is CC(C)(C(C1=CC=CC=C1)C2=CC=C(C=C2)OC)C(=O)NC3=NC=CS3.
What is the InChIKey of 3-(4-methoxyphenyl)-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide?
The InChIKey is PNQYBFZDYCCUAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O2S/c1-21(2,19(24)23-20-22-13-14-26-20)18(15-7-5-4-6-8-15)16-9-11-17(25-3)12-10-16/h4-14,18H,1-3H3,(H,22,23,24).
What are the key properties of 3-(4-methoxyphenyl)-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide?
3-(4-methoxyphenyl)-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide has a molecular weight of 366.50 g/mol, XLogP of 4.70, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 49851580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).