4-methoxy-N-[2-(7-methoxynaphthalen-1-yl)ethyl]-3-piperazin-1-ylbenzenesulfonamide

C24H29N3O4S — CID 118464998

IUPAC4-methoxy-N-[2-(7-methoxynaphthalen-1-yl)ethyl]-3-piperazin-1-ylbenzenesulfonamide
SMILESCOc1ccc2cccc(CCNS(=O)(=O)c3ccc(OC)c(N4CCNCC4)c3)c2c1
InChIInChI=1S/C24H29N3O4S/c1-30-20-7-6-18-4-3-5-19(22(18)16-20)10-11-26-32(28,29)21-8-9-24(31-2)23(17-21)27-14-12-25-13-15-27/h3-9,16-17,25-26H,10-15H2,1-2H3
InChIKeyZYXRUBLOBOXBJP-UHFFFAOYSA-N
MW455.58 g/mol
LogP2.79
Rot. Bonds8

About 4-methoxy-N-[2-(7-methoxynaphthalen-1-yl)ethyl]-3-piperazin-1-ylbenzenesulfonamide

4-methoxy-N-[2-(7-methoxynaphthalen-1-yl)ethyl]-3-piperazin-1-ylbenzenesulfonamide (PubChem CID 118464998) has the molecular formula C24H29N3O4S and a molecular weight of 455.58 g/mol. Its IUPAC name is 4-methoxy-N-[2-(7-methoxynaphthalen-1-yl)ethyl]-3-piperazin-1-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-N-[2-(7-methoxynaphthalen-1-yl)ethyl]-3-piperazin-1-ylbenzenesulfonamide
PubChem CID118464998
Molecular FormulaC24H29N3O4S
Molecular Weight455.58 g/mol
Exact Mass455.19
IUPAC Name4-methoxy-N-[2-(7-methoxynaphthalen-1-yl)ethyl]-3-piperazin-1-ylbenzenesulfonamide
SMILESCOc1ccc2cccc(CCNS(=O)(=O)c3ccc(OC)c(N4CCNCC4)c3)c2c1
InChIInChI=1S/C24H29N3O4S/c1-30-20-7-6-18-4-3-5-19(22(18)16-20)10-11-26-32(28,29)21-8-9-24(31-2)23(17-21)27-14-12-25-13-15-27/h3-9,16-17,25-26H,10-15H2,1-2H3
InChIKeyZYXRUBLOBOXBJP-UHFFFAOYSA-N
XLogP2.79
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.58
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[2-(7-methoxynaphthalen-1-yl)ethyl]-3-piperazin-1-ylbenzenesulfonamide?
The IUPAC name of 4-methoxy-N-[2-(7-methoxynaphthalen-1-yl)ethyl]-3-piperazin-1-ylbenzenesulfonamide (CID 118464998) is 4-methoxy-N-[2-(7-methoxynaphthalen-1-yl)ethyl]-3-piperazin-1-ylbenzenesulfonamide.
What is the SMILES notation for 4-methoxy-N-[2-(7-methoxynaphthalen-1-yl)ethyl]-3-piperazin-1-ylbenzenesulfonamide?
The canonical SMILES for 4-methoxy-N-[2-(7-methoxynaphthalen-1-yl)ethyl]-3-piperazin-1-ylbenzenesulfonamide is COc1ccc2cccc(CCNS(=O)(=O)c3ccc(OC)c(N4CCNCC4)c3)c2c1.
What is the InChIKey of 4-methoxy-N-[2-(7-methoxynaphthalen-1-yl)ethyl]-3-piperazin-1-ylbenzenesulfonamide?
The InChIKey is ZYXRUBLOBOXBJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O4S/c1-30-20-7-6-18-4-3-5-19(22(18)16-20)10-11-26-32(28,29)21-8-9-24(31-2)23(17-21)27-14-12-25-13-15-27/h3-9,16-17,25-26H,10-15H2,1-2H3.
What are the key properties of 4-methoxy-N-[2-(7-methoxynaphthalen-1-yl)ethyl]-3-piperazin-1-ylbenzenesulfonamide?
4-methoxy-N-[2-(7-methoxynaphthalen-1-yl)ethyl]-3-piperazin-1-ylbenzenesulfonamide has a molecular weight of 455.58 g/mol, XLogP of 2.79, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[2-(7-methoxynaphthalen-1-yl)ethyl]-3-piperazin-1-ylbenzenesulfonamide is sourced from PubChem (CID 118464998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).