3-methoxy-N-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-methylpropyl)benzamide

C24H28N2O3S — CID 46009273

IUPAC3-methoxy-N-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-methylpropyl)benzamide
SMILESCOc1cccc(C(=O)N(Cc2csc(COc3ccc(C)cc3)n2)CC(C)C)c1
InChIInChI=1S/C24H28N2O3S/c1-17(2)13-26(24(27)19-6-5-7-22(12-19)28-4)14-20-16-30-23(25-20)15-29-21-10-8-18(3)9-11-21/h5-12,16-17H,13-15H2,1-4H3
InChIKeyIESMKCWECFHKKA-UHFFFAOYSA-N
MW424.57 g/mol
LogP5.34
Rot. Bonds9

About 3-methoxy-N-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-methylpropyl)benzamide

3-methoxy-N-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-methylpropyl)benzamide (PubChem CID 46009273) has the molecular formula C24H28N2O3S and a molecular weight of 424.57 g/mol. Its IUPAC name is 3-methoxy-N-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-methylpropyl)benzamide.

Molecular Properties

Compound Name3-methoxy-N-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-methylpropyl)benzamide
PubChem CID46009273
Molecular FormulaC24H28N2O3S
Molecular Weight424.57 g/mol
Exact Mass424.18
IUPAC Name3-methoxy-N-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-methylpropyl)benzamide
SMILESCOc1cccc(C(=O)N(Cc2csc(COc3ccc(C)cc3)n2)CC(C)C)c1
InChIInChI=1S/C24H28N2O3S/c1-17(2)13-26(24(27)19-6-5-7-22(12-19)28-4)14-20-16-30-23(25-20)15-29-21-10-8-18(3)9-11-21/h5-12,16-17H,13-15H2,1-4H3
InChIKeyIESMKCWECFHKKA-UHFFFAOYSA-N
XLogP5.34
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.57
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-methylpropyl)-1,3-benzodioxole-5-carboxamide
CID 156702330
BuChE-IN-1
CID 156772174
(2-Phenyl-1,3-thiazol-4-yl)methyl 2-[(3,5-dimethoxybenzoyl)amino]acetate
CID 2121321
(2,5-Dimethoxyphenyl)[4-({4-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-piperazinyl}carbonyl)phenyl]methanone
CID 2945389
2-butoxy-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]benzamide
CID 23613053
4-[(1-acetyl-4-piperidinyl)oxy]-3-methoxy-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide
CID 24816675
(3-Isopropoxyphenyl){1-[(2-methyl-1,3-thiazol-4-yl)carbonyl]-3-piperidinyl}methanone
CID 24820095
3-chloro-N-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-methylpropyl)benzamide
CID 168278999
[2-(4-Methoxybenzyl)-1,3-thiazol-4-yl](morpholino)methanone
CID 1472612
3-methoxy-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]benzamide
CID 7119117
N-(2-methylpropyl)-N-[[2-[[4-(trifluoromethyl)phenoxy]methyl]-1,3-thiazol-4-yl]methyl]-1,3-benzodioxole-5-carboxamide
CID 156771332
4-[2-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,3-thiazol-4-yl]benzamide
CID 25117746

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-methylpropyl)benzamide?
The IUPAC name of 3-methoxy-N-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-methylpropyl)benzamide (CID 46009273) is 3-methoxy-N-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-methylpropyl)benzamide.
What is the SMILES notation for 3-methoxy-N-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-methylpropyl)benzamide?
The canonical SMILES for 3-methoxy-N-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-methylpropyl)benzamide is COc1cccc(C(=O)N(Cc2csc(COc3ccc(C)cc3)n2)CC(C)C)c1.
What is the InChIKey of 3-methoxy-N-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-methylpropyl)benzamide?
The InChIKey is IESMKCWECFHKKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O3S/c1-17(2)13-26(24(27)19-6-5-7-22(12-19)28-4)14-20-16-30-23(25-20)15-29-21-10-8-18(3)9-11-21/h5-12,16-17H,13-15H2,1-4H3.
What are the key properties of 3-methoxy-N-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-methylpropyl)benzamide?
3-methoxy-N-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-methylpropyl)benzamide has a molecular weight of 424.57 g/mol, XLogP of 5.34, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-methylpropyl)benzamide is sourced from PubChem (CID 46009273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).