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

C22H29N3O5S — CID 19798421

IUPAC4-ethoxy-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-N-methylbenzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)N(C)CC(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1
InChIInChI=1S/C22H29N3O5S/c1-4-30-20-9-11-21(12-10-20)31(27,28)23(2)17-22(26)25-15-13-24(14-16-25)18-5-7-19(29-3)8-6-18/h5-12H,4,13-17H2,1-3H3
InChIKeyDXIVUFSNMIHIGB-UHFFFAOYSA-N
MW447.56 g/mol
LogP2.06
Rot. Bonds8

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

4-ethoxy-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-N-methylbenzenesulfonamide (PubChem CID 19798421) has the molecular formula C22H29N3O5S and a molecular weight of 447.56 g/mol. Its IUPAC name is 4-ethoxy-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-ethoxy-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-N-methylbenzenesulfonamide
PubChem CID19798421
Molecular FormulaC22H29N3O5S
Molecular Weight447.56 g/mol
Exact Mass447.18
IUPAC Name4-ethoxy-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-N-methylbenzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)N(C)CC(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1
InChIInChI=1S/C22H29N3O5S/c1-4-30-20-9-11-21(12-10-20)31(27,28)23(2)17-22(26)25-15-13-24(14-16-25)18-5-7-19(29-3)8-6-18/h5-12H,4,13-17H2,1-3H3
InChIKeyDXIVUFSNMIHIGB-UHFFFAOYSA-N
XLogP2.06
TPSA79.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.56
LogP ≤ 52.06
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

4-ethoxy-N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-N-methylbenzenesulfonamide
CID 3163384
N-[4-[[2-[4-(4-methoxyphenyl)-1,4-diazepan-1-yl]-2-oxoethyl]-methylsulfamoyl]phenyl]acetamide
CID 55918517
4-ethoxy-N-methyl-N-[2-oxo-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]benzenesulfonamide
CID 19798439
4-ethoxy-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-N-phenylbenzenesulfonamide
CID 2911675
4-ethoxy-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]-3-oxopropyl]benzenesulfonamide
CID 3331081
N-[2-(4-benzhydrylpiperazin-1-yl)-2-oxoethyl]-4-ethoxy-N-methylbenzenesulfonamide
CID 19798416
4-fluoro-N-[4-[4-(4-methoxyphenyl)piperazin-1-yl]-4-oxobutyl]-N-methylbenzenesulfonamide
CID 55358521
4-[[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-methylsulfonylamino]-N,N-dimethylbenzenesulfonamide
CID 30266279
N-[2-[4-(4-hydroxyphenyl)piperazin-1-yl]-2-oxoethyl]-N,4-dimethylbenzenesulfonamide
CID 5026377
4-chloro-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-N-propylbenzenesulfonamide
CID 55412015
4-ethoxy-N-methyl-N-[2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethyl]benzenesulfonamide
CID 19798438
1-(4-ethoxyphenyl)sulfonyl-4-(4-methoxyphenyl)piperazine
CID 1306330

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-N-methylbenzenesulfonamide?
The IUPAC name of 4-ethoxy-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-N-methylbenzenesulfonamide (CID 19798421) is 4-ethoxy-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-N-methylbenzenesulfonamide.
What is the SMILES notation for 4-ethoxy-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-N-methylbenzenesulfonamide?
The canonical SMILES for 4-ethoxy-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-N-methylbenzenesulfonamide is CCOc1ccc(S(=O)(=O)N(C)CC(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1.
What is the InChIKey of 4-ethoxy-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-N-methylbenzenesulfonamide?
The InChIKey is DXIVUFSNMIHIGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O5S/c1-4-30-20-9-11-21(12-10-20)31(27,28)23(2)17-22(26)25-15-13-24(14-16-25)18-5-7-19(29-3)8-6-18/h5-12H,4,13-17H2,1-3H3.
What are the key properties of 4-ethoxy-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-N-methylbenzenesulfonamide?
4-ethoxy-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-N-methylbenzenesulfonamide has a molecular weight of 447.56 g/mol, XLogP of 2.06, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-N-methylbenzenesulfonamide is sourced from PubChem (CID 19798421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).