4-methoxy-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-N-phenylbenzenesulfonamide

C26H29N3O5S — CID 2915349

IUPAC4-methoxy-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-N-phenylbenzenesulfonamide
SMILESCOc1ccc(N2CCN(C(=O)CN(c3ccccc3)S(=O)(=O)c3ccc(OC)cc3)CC2)cc1
InChIInChI=1S/C26H29N3O5S/c1-33-23-10-8-21(9-11-23)27-16-18-28(19-17-27)26(30)20-29(22-6-4-3-5-7-22)35(31,32)25-14-12-24(34-2)13-15-25/h3-15H,16-20H2,1-2H3
InChIKeyVIESIXKWOOXFRM-UHFFFAOYSA-N
MW495.60 g/mol
LogP3.25
Rot. Bonds8

About 4-methoxy-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-N-phenylbenzenesulfonamide

4-methoxy-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-N-phenylbenzenesulfonamide (PubChem CID 2915349) has the molecular formula C26H29N3O5S and a molecular weight of 495.60 g/mol. Its IUPAC name is 4-methoxy-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-N-phenylbenzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-N-phenylbenzenesulfonamide
PubChem CID2915349
Molecular FormulaC26H29N3O5S
Molecular Weight495.60 g/mol
Exact Mass495.18
IUPAC Name4-methoxy-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-N-phenylbenzenesulfonamide
SMILESCOc1ccc(N2CCN(C(=O)CN(c3ccccc3)S(=O)(=O)c3ccc(OC)cc3)CC2)cc1
InChIInChI=1S/C26H29N3O5S/c1-33-23-10-8-21(9-11-23)27-16-18-28(19-17-27)26(30)20-29(22-6-4-3-5-7-22)35(31,32)25-14-12-24(34-2)13-15-25/h3-15H,16-20H2,1-2H3
InChIKeyVIESIXKWOOXFRM-UHFFFAOYSA-N
XLogP3.25
TPSA79.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.60
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-methoxy-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-N-phenylbenzenesulfonamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-N-phenylbenzenesulfonamide?
The IUPAC name of 4-methoxy-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-N-phenylbenzenesulfonamide (CID 2915349) is 4-methoxy-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-N-phenylbenzenesulfonamide.
What is the SMILES notation for 4-methoxy-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-N-phenylbenzenesulfonamide?
The canonical SMILES for 4-methoxy-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-N-phenylbenzenesulfonamide is COc1ccc(N2CCN(C(=O)CN(c3ccccc3)S(=O)(=O)c3ccc(OC)cc3)CC2)cc1.
What is the InChIKey of 4-methoxy-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-N-phenylbenzenesulfonamide?
The InChIKey is VIESIXKWOOXFRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O5S/c1-33-23-10-8-21(9-11-23)27-16-18-28(19-17-27)26(30)20-29(22-6-4-3-5-7-22)35(31,32)25-14-12-24(34-2)13-15-25/h3-15H,16-20H2,1-2H3.
What are the key properties of 4-methoxy-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-N-phenylbenzenesulfonamide?
4-methoxy-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-N-phenylbenzenesulfonamide has a molecular weight of 495.60 g/mol, XLogP of 3.25, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-N-phenylbenzenesulfonamide is sourced from PubChem (CID 2915349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).