2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-[[2-(2-methoxyphenyl)sulfanylphenyl]methyl]-N-methylacetamide

C28H33N3O3S — CID 141090907

IUPAC2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-[[2-(2-methoxyphenyl)sulfanylphenyl]methyl]-N-methylacetamide
SMILESCOc1ccc(N2CCN(CC(=O)N(C)Cc3ccccc3Sc3ccccc3OC)CC2)cc1
InChIInChI=1S/C28H33N3O3S/c1-29(20-22-8-4-6-10-26(22)35-27-11-7-5-9-25(27)34-3)28(32)21-30-16-18-31(19-17-30)23-12-14-24(33-2)15-13-23/h4-15H,16-21H2,1-3H3
InChIKeyIMUNTRYDOVAFML-UHFFFAOYSA-N
MW491.66 g/mol
LogP4.64
Rot. Bonds9

About 2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-[[2-(2-methoxyphenyl)sulfanylphenyl]methyl]-N-methylacetamide

2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-[[2-(2-methoxyphenyl)sulfanylphenyl]methyl]-N-methylacetamide (PubChem CID 141090907) has the molecular formula C28H33N3O3S and a molecular weight of 491.66 g/mol. Its IUPAC name is 2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-[[2-(2-methoxyphenyl)sulfanylphenyl]methyl]-N-methylacetamide.

Molecular Properties

Compound Name2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-[[2-(2-methoxyphenyl)sulfanylphenyl]methyl]-N-methylacetamide
PubChem CID141090907
Molecular FormulaC28H33N3O3S
Molecular Weight491.66 g/mol
Exact Mass491.22
IUPAC Name2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-[[2-(2-methoxyphenyl)sulfanylphenyl]methyl]-N-methylacetamide
SMILESCOc1ccc(N2CCN(CC(=O)N(C)Cc3ccccc3Sc3ccccc3OC)CC2)cc1
InChIInChI=1S/C28H33N3O3S/c1-29(20-22-8-4-6-10-26(22)35-27-11-7-5-9-25(27)34-3)28(32)21-30-16-18-31(19-17-30)23-12-14-24(33-2)15-13-23/h4-15H,16-21H2,1-3H3
InChIKeyIMUNTRYDOVAFML-UHFFFAOYSA-N
XLogP4.64
TPSA45.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.66
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Analyze 2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-[[2-(2-methoxyphenyl)sulfanylphenyl]methyl]-N-methylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[4-(2-methoxyphenyl)piperazin-1-yl]-N-[[2-(2-methoxyphenyl)sulfanylphenyl]methyl]-N-methylbutanamide
CID 141090916
2-[4-(4-methoxyphenyl)piperazin-1-yl]-N,N-diphenylacetamide
CID 3040739
N-[(4-ethoxyphenyl)methyl]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-methylacetamide
CID 8687133
2-(2-methoxyphenyl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone
CID 6466814
2-[4-(4-methoxyphenyl)piperazin-1-yl]-1-phenylethanone
CID 863811
N-[(2-methoxyphenyl)methyl]-2-[3-(4-methoxyphenyl)-2,4,5-trioxoimidazolidin-1-yl]-N-methylacetamide
CID 7888640
2-(1,4-diazepan-1-yl)-N-[(2-methoxyphenyl)methyl]-N-methylacetamide;hydrochloride
CID 119906324
N-(4-fluorophenyl)-2-[4-[2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl]piperazin-1-yl]acetamide
CID 8719305
N-[(4-chlorophenyl)methyl]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-methylacetamide
CID 8687143
(Z)-but-2-enedioic acid;1-[2-(2,4-dimethoxyphenyl)sulfanylphenyl]-N,N-dimethylmethanamine
CID 20841313
2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-methyl-N-[(1R)-1-phenylethyl]acetamide
CID 9348034
propan-2-yl 2-[4-(4-methoxyphenyl)piperazin-1-yl]acetate
CID 60688983

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-[[2-(2-methoxyphenyl)sulfanylphenyl]methyl]-N-methylacetamide?
The IUPAC name of 2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-[[2-(2-methoxyphenyl)sulfanylphenyl]methyl]-N-methylacetamide (CID 141090907) is 2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-[[2-(2-methoxyphenyl)sulfanylphenyl]methyl]-N-methylacetamide.
What is the SMILES notation for 2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-[[2-(2-methoxyphenyl)sulfanylphenyl]methyl]-N-methylacetamide?
The canonical SMILES for 2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-[[2-(2-methoxyphenyl)sulfanylphenyl]methyl]-N-methylacetamide is COc1ccc(N2CCN(CC(=O)N(C)Cc3ccccc3Sc3ccccc3OC)CC2)cc1.
What is the InChIKey of 2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-[[2-(2-methoxyphenyl)sulfanylphenyl]methyl]-N-methylacetamide?
The InChIKey is IMUNTRYDOVAFML-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N3O3S/c1-29(20-22-8-4-6-10-26(22)35-27-11-7-5-9-25(27)34-3)28(32)21-30-16-18-31(19-17-30)23-12-14-24(33-2)15-13-23/h4-15H,16-21H2,1-3H3.
What are the key properties of 2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-[[2-(2-methoxyphenyl)sulfanylphenyl]methyl]-N-methylacetamide?
2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-[[2-(2-methoxyphenyl)sulfanylphenyl]methyl]-N-methylacetamide has a molecular weight of 491.66 g/mol, XLogP of 4.64, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-[[2-(2-methoxyphenyl)sulfanylphenyl]methyl]-N-methylacetamide is sourced from PubChem (CID 141090907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).