3-(4-methoxyphenyl)-N-[4-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-2,2-dimethyl-3-phenylpropanamide

C29H30N2O3S — CID 87453170

IUPAC3-(4-methoxyphenyl)-N-[4-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-2,2-dimethyl-3-phenylpropanamide
SMILESCOc1ccc(Cc2csc(NC(=O)C(C)(C)C(c3ccccc3)c3ccc(OC)cc3)n2)cc1
InChIInChI=1S/C29H30N2O3S/c1-29(2,26(21-8-6-5-7-9-21)22-12-16-25(34-4)17-13-22)27(32)31-28-30-23(19-35-28)18-20-10-14-24(33-3)15-11-20/h5-17,19,26H,18H2,1-4H3,(H,30,31,32)
InChIKeyMXMRJYKWSVARJH-UHFFFAOYSA-N
MW486.64 g/mol
LogP6.55
Rot. Bonds9

About 3-(4-methoxyphenyl)-N-[4-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-2,2-dimethyl-3-phenylpropanamide

3-(4-methoxyphenyl)-N-[4-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-2,2-dimethyl-3-phenylpropanamide (PubChem CID 87453170) has the molecular formula C29H30N2O3S and a molecular weight of 486.64 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-N-[4-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-2,2-dimethyl-3-phenylpropanamide.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-N-[4-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-2,2-dimethyl-3-phenylpropanamide
PubChem CID87453170
Molecular FormulaC29H30N2O3S
Molecular Weight486.64 g/mol
Exact Mass486.20
IUPAC Name3-(4-methoxyphenyl)-N-[4-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-2,2-dimethyl-3-phenylpropanamide
SMILESCOc1ccc(Cc2csc(NC(=O)C(C)(C)C(c3ccccc3)c3ccc(OC)cc3)n2)cc1
InChIInChI=1S/C29H30N2O3S/c1-29(2,26(21-8-6-5-7-9-21)22-12-16-25(34-4)17-13-22)27(32)31-28-30-23(19-35-28)18-20-10-14-24(33-3)15-11-20/h5-17,19,26H,18H2,1-4H3,(H,30,31,32)
InChIKeyMXMRJYKWSVARJH-UHFFFAOYSA-N
XLogP6.55
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.64
LogP ≤ 56.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-tert-butyl-1,3-thiazol-2-yl)-3,3-bis(4-methoxyphenyl)-2,2-dimethylpropanamide
CID 59232774
2,2-dimethyl-3,3-diphenyl-N-[4-(2-phenylpropan-2-yl)-1,3-thiazol-2-yl]propanamide
CID 59232960
N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2,2-dimethyl-3,3-diphenylpropanamide
CID 59232782
N-(4-tert-butyl-1,3-thiazol-2-yl)-3-(2-methoxyphenyl)-2,2-dimethyl-3-phenylpropanamide
CID 59232831
(2E)-2-[2-[(2,2-dimethyl-3,3-diphenylpropanoyl)amino]-1,3-thiazol-4-yl]-2-methoxyiminoacetic acid
CID 87453165
3-[6-(4-methoxyphenyl)-3-pyridinyl]-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide
CID 59138553
2-(3-methoxy-2,6-dioxopurin-9-yl)-N-[4-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-2-methylpropanamide
CID 142698713
3,5-dimethoxy-N-[4-[2-oxo-2-(1-phenylethylamino)ethyl]-1,3-thiazol-2-yl]benzamide
CID 18568059
2-[2-[(2-methyl-2-naphthalen-2-yloxypropanoyl)amino]-1,3-thiazol-4-yl]acetic acid
CID 87418022
2-[2-[(4-methoxyphenyl)methylamino]-1,3-thiazol-4-yl]acetic acid
CID 9148773
N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]-2-(4-methoxyphenyl)acetamide
CID 64545259
CID 89275031
CID 89275031

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-N-[4-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-2,2-dimethyl-3-phenylpropanamide?
The IUPAC name of 3-(4-methoxyphenyl)-N-[4-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-2,2-dimethyl-3-phenylpropanamide (CID 87453170) is 3-(4-methoxyphenyl)-N-[4-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-2,2-dimethyl-3-phenylpropanamide.
What is the SMILES notation for 3-(4-methoxyphenyl)-N-[4-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-2,2-dimethyl-3-phenylpropanamide?
The canonical SMILES for 3-(4-methoxyphenyl)-N-[4-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-2,2-dimethyl-3-phenylpropanamide is COc1ccc(Cc2csc(NC(=O)C(C)(C)C(c3ccccc3)c3ccc(OC)cc3)n2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-N-[4-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-2,2-dimethyl-3-phenylpropanamide?
The InChIKey is MXMRJYKWSVARJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N2O3S/c1-29(2,26(21-8-6-5-7-9-21)22-12-16-25(34-4)17-13-22)27(32)31-28-30-23(19-35-28)18-20-10-14-24(33-3)15-11-20/h5-17,19,26H,18H2,1-4H3,(H,30,31,32).
What are the key properties of 3-(4-methoxyphenyl)-N-[4-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-2,2-dimethyl-3-phenylpropanamide?
3-(4-methoxyphenyl)-N-[4-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-2,2-dimethyl-3-phenylpropanamide has a molecular weight of 486.64 g/mol, XLogP of 6.55, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-N-[4-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-2,2-dimethyl-3-phenylpropanamide is sourced from PubChem (CID 87453170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).