3-methoxy-N-[[4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]phenyl]methyl]benzenesulfonamide

C26H29N3O5S — CID 984429

IUPAC3-methoxy-N-[[4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]phenyl]methyl]benzenesulfonamide
SMILESCOc1ccc(N2CCN(C(=O)c3ccc(CNS(=O)(=O)c4cccc(OC)c4)cc3)CC2)cc1
InChIInChI=1S/C26H29N3O5S/c1-33-23-12-10-22(11-13-23)28-14-16-29(17-15-28)26(30)21-8-6-20(7-9-21)19-27-35(31,32)25-5-3-4-24(18-25)34-2/h3-13,18,27H,14-17,19H2,1-2H3
InChIKeyKGDRHPOODDYWJC-UHFFFAOYSA-N
MW495.60 g/mol
LogP3.14
Rot. Bonds8

About 3-methoxy-N-[[4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]phenyl]methyl]benzenesulfonamide

3-methoxy-N-[[4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]phenyl]methyl]benzenesulfonamide (PubChem CID 984429) has the molecular formula C26H29N3O5S and a molecular weight of 495.60 g/mol. Its IUPAC name is 3-methoxy-N-[[4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]phenyl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name3-methoxy-N-[[4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]phenyl]methyl]benzenesulfonamide
PubChem CID984429
Molecular FormulaC26H29N3O5S
Molecular Weight495.60 g/mol
Exact Mass495.18
IUPAC Name3-methoxy-N-[[4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]phenyl]methyl]benzenesulfonamide
SMILESCOc1ccc(N2CCN(C(=O)c3ccc(CNS(=O)(=O)c4cccc(OC)c4)cc3)CC2)cc1
InChIInChI=1S/C26H29N3O5S/c1-33-23-12-10-22(11-13-23)28-14-16-29(17-15-28)26(30)21-8-6-20(7-9-21)19-27-35(31,32)25-5-3-4-24(18-25)34-2/h3-13,18,27H,14-17,19H2,1-2H3
InChIKeyKGDRHPOODDYWJC-UHFFFAOYSA-N
XLogP3.14
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.60
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-methoxy-N-[[4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]phenyl]methyl]benzenesulfonamide 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 3-methoxy-N-[[4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]phenyl]methyl]benzenesulfonamide?
The IUPAC name of 3-methoxy-N-[[4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]phenyl]methyl]benzenesulfonamide (CID 984429) is 3-methoxy-N-[[4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]phenyl]methyl]benzenesulfonamide.
What is the SMILES notation for 3-methoxy-N-[[4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]phenyl]methyl]benzenesulfonamide?
The canonical SMILES for 3-methoxy-N-[[4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]phenyl]methyl]benzenesulfonamide is COc1ccc(N2CCN(C(=O)c3ccc(CNS(=O)(=O)c4cccc(OC)c4)cc3)CC2)cc1.
What is the InChIKey of 3-methoxy-N-[[4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]phenyl]methyl]benzenesulfonamide?
The InChIKey is KGDRHPOODDYWJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O5S/c1-33-23-12-10-22(11-13-23)28-14-16-29(17-15-28)26(30)21-8-6-20(7-9-21)19-27-35(31,32)25-5-3-4-24(18-25)34-2/h3-13,18,27H,14-17,19H2,1-2H3.
What are the key properties of 3-methoxy-N-[[4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]phenyl]methyl]benzenesulfonamide?
3-methoxy-N-[[4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]phenyl]methyl]benzenesulfonamide has a molecular weight of 495.60 g/mol, XLogP of 3.14, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[[4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]phenyl]methyl]benzenesulfonamide is sourced from PubChem (CID 984429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).