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

C26H29N3O5S — CID 2915556

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

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

N-(4-methoxyphenyl)-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]benzenesulfonamide (PubChem CID 2915556) has the molecular formula C26H29N3O5S and a molecular weight of 495.60 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]benzenesulfonamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]benzenesulfonamide
PubChem CID2915556
Molecular FormulaC26H29N3O5S
Molecular Weight495.60 g/mol
Exact Mass495.18
IUPAC NameN-(4-methoxyphenyl)-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]benzenesulfonamide
SMILESCOc1ccc(N2CCN(C(=O)CN(c3ccc(OC)cc3)S(=O)(=O)c3ccccc3)CC2)cc1
InChIInChI=1S/C26H29N3O5S/c1-33-23-12-8-21(9-13-23)27-16-18-28(19-17-27)26(30)20-29(22-10-14-24(34-2)15-11-22)35(31,32)25-6-4-3-5-7-25/h3-15H,16-20H2,1-2H3
InChIKeyBDQIXUDBXLSOEL-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'}

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Related Compounds

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N-(4-Methoxyphenyl)-2-(4-phenyl-1-piperazinyl)acetamide
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3-amino-N-(4-methoxyphenyl)-4-(piperidin-1-yl)benzene-1-sulfonamide
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N-(2-azepan-1-yl-2-oxoethyl)-N-(4-ethoxyphenyl)-4-methylbenzenesulfonamide
CID 1001017
2-[4-(dimethylsulfamoyl)piperazin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 1095014
2-(carbamoylamino)-N-[5-[(4-methoxyphenyl)sulfamoyl]-2-piperidin-1-ylphenyl]propanamide
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5-[4-(4-Methoxyphenyl)piperazin-1-yl]sulfonyl-1,3-dimethylpyrimidine-2,4-dione
CID 7161892
N-(2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl)-N-(4-methoxyphenyl)benzenesulfonamide
CID 1135733
N-(4-Methoxy-phenyl)-2-{4-[(4-methoxy-phenylcarbamoyl)-methyl]-piperazin-1-yl}-acetamide
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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]benzenesulfonamide?
The IUPAC name of N-(4-methoxyphenyl)-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]benzenesulfonamide (CID 2915556) is N-(4-methoxyphenyl)-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]benzenesulfonamide.
What is the SMILES notation for N-(4-methoxyphenyl)-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]benzenesulfonamide?
The canonical SMILES for N-(4-methoxyphenyl)-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]benzenesulfonamide is COc1ccc(N2CCN(C(=O)CN(c3ccc(OC)cc3)S(=O)(=O)c3ccccc3)CC2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]benzenesulfonamide?
The InChIKey is BDQIXUDBXLSOEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O5S/c1-33-23-12-8-21(9-13-23)27-16-18-28(19-17-27)26(30)20-29(22-10-14-24(34-2)15-11-22)35(31,32)25-6-4-3-5-7-25/h3-15H,16-20H2,1-2H3.
What are the key properties of N-(4-methoxyphenyl)-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]benzenesulfonamide?
N-(4-methoxyphenyl)-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]benzenesulfonamide 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 N-(4-methoxyphenyl)-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]benzenesulfonamide is sourced from PubChem (CID 2915556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).