N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]acetamide

C24H28N4O3S — CID 167991014

IUPACN-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]acetamide
SMILESCOc1cc(CNC(=O)CN2CCN(c3nccs3)CC2)ccc1OCc1ccccc1
InChIInChI=1S/C24H28N4O3S/c1-30-22-15-20(7-8-21(22)31-18-19-5-3-2-4-6-19)16-26-23(29)17-27-10-12-28(13-11-27)24-25-9-14-32-24/h2-9,14-15H,10-13,16-18H2,1H3,(H,26,29)
InChIKeyAMQXHOJBVJRGTL-UHFFFAOYSA-N
MW452.58 g/mol
LogP3.17
Rot. Bonds9

About N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]acetamide

N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]acetamide (PubChem CID 167991014) has the molecular formula C24H28N4O3S and a molecular weight of 452.58 g/mol. Its IUPAC name is N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]acetamide
PubChem CID167991014
Molecular FormulaC24H28N4O3S
Molecular Weight452.58 g/mol
Exact Mass452.19
IUPAC NameN-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]acetamide
SMILESCOc1cc(CNC(=O)CN2CCN(c3nccs3)CC2)ccc1OCc1ccccc1
InChIInChI=1S/C24H28N4O3S/c1-30-22-15-20(7-8-21(22)31-18-19-5-3-2-4-6-19)16-26-23(29)17-27-10-12-28(13-11-27)24-25-9-14-32-24/h2-9,14-15H,10-13,16-18H2,1H3,(H,26,29)
InChIKeyAMQXHOJBVJRGTL-UHFFFAOYSA-N
XLogP3.17
TPSA66.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.58
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]acetamide with MolForge

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Related Compounds

2-[4-[2-[(3-methoxy-4-phenylmethoxyphenyl)methylamino]-2-oxoethyl]piperazin-1-yl]-N-(3-methoxypropyl)acetamide
CID 24574969
N-[[4-(dimethylamino)phenyl]methyl]-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]acetamide
CID 18136677
N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]butanamide
CID 27865842
N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-2-[(2S)-2-methylpiperidin-1-yl]acetamide
CID 8623456
4-[(3-methoxy-4-phenylmethoxyphenyl)methylamino]-4-oxobutanoate
CID 9151302
2-(4-methoxyphenyl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]acetamide
CID 27865855
N-[(3,4-dimethoxyphenyl)methyl]-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]acetamide
CID 18078469
N-[(3,4-dimethoxyphenyl)methyl]-2-(4-propylpiperazin-1-yl)acetamide
CID 4788921
N-benzyl-2-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]acetamide
CID 18140436
2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-1-(3,4,5-trimethoxyphenyl)ethanone;dihydrochloride
CID 28739
2-(diethylamino)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]acetamide
CID 86908679
N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]cyclopropanecarboxamide
CID 9325326

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]acetamide?
The IUPAC name of N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]acetamide (CID 167991014) is N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]acetamide?
The canonical SMILES for N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]acetamide is COc1cc(CNC(=O)CN2CCN(c3nccs3)CC2)ccc1OCc1ccccc1.
What is the InChIKey of N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]acetamide?
The InChIKey is AMQXHOJBVJRGTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O3S/c1-30-22-15-20(7-8-21(22)31-18-19-5-3-2-4-6-19)16-26-23(29)17-27-10-12-28(13-11-27)24-25-9-14-32-24/h2-9,14-15H,10-13,16-18H2,1H3,(H,26,29).
What are the key properties of N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]acetamide?
N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]acetamide has a molecular weight of 452.58 g/mol, XLogP of 3.17, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]acetamide is sourced from PubChem (CID 167991014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).