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

C22H24N2O2S — CID 143671145

IUPAC3-(4-methoxyphenyl)-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)butanamide
SMILESCOc1ccc(C(C)(c2ccccc2)C(C)(C)C(=O)Nc2nccs2)cc1
InChIInChI=1S/C22H24N2O2S/c1-21(2,19(25)24-20-23-14-15-27-20)22(3,16-8-6-5-7-9-16)17-10-12-18(26-4)13-11-17/h5-15H,1-4H3,(H,23,24,25)
InChIKeyCZUAUSPJWSDLND-UHFFFAOYSA-N
MW380.51 g/mol
LogP5.12
Rot. Bonds6

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

3-(4-methoxyphenyl)-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)butanamide (PubChem CID 143671145) has the molecular formula C22H24N2O2S and a molecular weight of 380.51 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)butanamide.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)butanamide
PubChem CID143671145
Molecular FormulaC22H24N2O2S
Molecular Weight380.51 g/mol
Exact Mass380.16
IUPAC Name3-(4-methoxyphenyl)-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)butanamide
SMILESCOc1ccc(C(C)(c2ccccc2)C(C)(C)C(=O)Nc2nccs2)cc1
InChIInChI=1S/C22H24N2O2S/c1-21(2,19(25)24-20-23-14-15-27-20)22(3,16-8-6-5-7-9-16)17-10-12-18(26-4)13-11-17/h5-15H,1-4H3,(H,23,24,25)
InChIKeyCZUAUSPJWSDLND-UHFFFAOYSA-N
XLogP5.12
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.51
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-2-naphthalen-2-yloxy-N-(1,3-thiazol-2-yl)propanamide
CID 24962327
N-(4-methoxyphenyl)-N'-(1,3-thiazol-2-yl)oxamide
CID 45000900
3-[6-(4-methoxyphenyl)-3-pyridinyl]-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide
CID 59138553
2-(2-methoxyphenyl)-2-methyl-N-(1,3-thiazol-2-yl)propanamide
CID 110439598
2-(4-methoxyphenyl)-N-(1,3-thiazol-2-yl)acetamide
CID 770967
2-(4-methylsulfonylphenyl)-2-(4-phenylphenoxy)-N-(1,3-thiazol-2-yl)propanamide
CID 24960870
2-phenyl-2-(1,3-thiazol-2-ylcarbamoylamino)propanoic acid
CID 62489746
(2R)-2-(4-methoxyphenoxy)-N-(1,3-thiazol-2-yl)propanamide
CID 719476
2-bromo-2-methyl-N-(1,3-thiazol-2-yl)propanamide
CID 818142
2-(4-methoxyanilino)-N-(1,3-thiazol-2-yl)benzamide
CID 52612392
2,3-bis(4-chlorophenyl)-2,3-bis(4-methylphenoxy)-N-pyridin-2-yl-N'-(1,3-thiazol-2-yl)butanediamide
CID 87417741
2-amino-N-(4-methoxyphenyl)-2-phenylpropanamide
CID 62487859

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)butanamide?
The IUPAC name of 3-(4-methoxyphenyl)-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)butanamide (CID 143671145) is 3-(4-methoxyphenyl)-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)butanamide.
What is the SMILES notation for 3-(4-methoxyphenyl)-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)butanamide?
The canonical SMILES for 3-(4-methoxyphenyl)-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)butanamide is COc1ccc(C(C)(c2ccccc2)C(C)(C)C(=O)Nc2nccs2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)butanamide?
The InChIKey is CZUAUSPJWSDLND-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O2S/c1-21(2,19(25)24-20-23-14-15-27-20)22(3,16-8-6-5-7-9-16)17-10-12-18(26-4)13-11-17/h5-15H,1-4H3,(H,23,24,25).
What are the key properties of 3-(4-methoxyphenyl)-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)butanamide?
3-(4-methoxyphenyl)-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)butanamide has a molecular weight of 380.51 g/mol, XLogP of 5.12, 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)butanamide is sourced from PubChem (CID 143671145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).