[3-(2-methoxyanilino)sulfanylphenyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone

C25H27N3O3S — CID 146231616

IUPAC[3-(2-methoxyanilino)sulfanylphenyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
SMILESCOc1ccccc1NSc1cccc(C(=O)N2CCN(c3ccccc3OC)CC2)c1
InChIInChI=1S/C25H27N3O3S/c1-30-23-12-5-3-10-21(23)26-32-20-9-7-8-19(18-20)25(29)28-16-14-27(15-17-28)22-11-4-6-13-24(22)31-2/h3-13,18,26H,14-17H2,1-2H3
InChIKeyQVIQVEOSJPPZEJ-UHFFFAOYSA-N
MW449.58 g/mol
LogP4.79
Rot. Bonds7

About [3-(2-methoxyanilino)sulfanylphenyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone

[3-(2-methoxyanilino)sulfanylphenyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone (PubChem CID 146231616) has the molecular formula C25H27N3O3S and a molecular weight of 449.58 g/mol. Its IUPAC name is [3-(2-methoxyanilino)sulfanylphenyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[3-(2-methoxyanilino)sulfanylphenyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
PubChem CID146231616
Molecular FormulaC25H27N3O3S
Molecular Weight449.58 g/mol
Exact Mass449.18
IUPAC Name[3-(2-methoxyanilino)sulfanylphenyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
SMILESCOc1ccccc1NSc1cccc(C(=O)N2CCN(c3ccccc3OC)CC2)c1
InChIInChI=1S/C25H27N3O3S/c1-30-23-12-5-3-10-21(23)26-32-20-9-7-8-19(18-20)25(29)28-16-14-27(15-17-28)22-11-4-6-13-24(22)31-2/h3-13,18,26H,14-17H2,1-2H3
InChIKeyQVIQVEOSJPPZEJ-UHFFFAOYSA-N
XLogP4.79
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.58
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

Analyze [3-(2-methoxyanilino)sulfanylphenyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone 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-(2-methoxyphenyl)piperazin-1-yl]-(3-methylsulfonylphenyl)methanone
CID 26534443
(3,4-dihydroxyphenyl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 113199237
1-[3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]phenyl]pyrrolidine-2,5-dione
CID 9335620
[2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]phenyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 4116089
2,3-dihydro-1H-inden-5-yl-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 9118183
(5-hydroxy-3-pyridinyl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 110854337
[3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]phenyl]-(4-methylpiperazin-1-yl)methanone
CID 46054196
N-[2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]phenyl]acetamide
CID 1108322
(3,5-dichloro-4-methoxyphenyl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 9034132
N-(2,3-dimethylphenyl)-5-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-2-methylbenzenesulfonamide
CID 2226912
[4-(2-methoxyphenyl)piperazin-1-yl]-[3-(1,3-thiazol-2-yl)phenyl]methanone
CID 110372121
[3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-5-nitrophenyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 5187660

Frequently Asked Questions

What is the IUPAC name of [3-(2-methoxyanilino)sulfanylphenyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone?
The IUPAC name of [3-(2-methoxyanilino)sulfanylphenyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone (CID 146231616) is [3-(2-methoxyanilino)sulfanylphenyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone.
What is the SMILES notation for [3-(2-methoxyanilino)sulfanylphenyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone?
The canonical SMILES for [3-(2-methoxyanilino)sulfanylphenyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone is COc1ccccc1NSc1cccc(C(=O)N2CCN(c3ccccc3OC)CC2)c1.
What is the InChIKey of [3-(2-methoxyanilino)sulfanylphenyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone?
The InChIKey is QVIQVEOSJPPZEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O3S/c1-30-23-12-5-3-10-21(23)26-32-20-9-7-8-19(18-20)25(29)28-16-14-27(15-17-28)22-11-4-6-13-24(22)31-2/h3-13,18,26H,14-17H2,1-2H3.
What are the key properties of [3-(2-methoxyanilino)sulfanylphenyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone?
[3-(2-methoxyanilino)sulfanylphenyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone has a molecular weight of 449.58 g/mol, XLogP of 4.79, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-methoxyanilino)sulfanylphenyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 146231616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).