2,5-dimethoxy-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-N-methylbenzenesulfonamide

C22H29N3O6S — CID 45375573

IUPAC2,5-dimethoxy-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-N-methylbenzenesulfonamide
SMILESCOc1ccc(OC)c(S(=O)(=O)N(C)CC(=O)N2CCN(c3ccccc3OC)CC2)c1
InChIInChI=1S/C22H29N3O6S/c1-23(32(27,28)21-15-17(29-2)9-10-20(21)31-4)16-22(26)25-13-11-24(12-14-25)18-7-5-6-8-19(18)30-3/h5-10,15H,11-14,16H2,1-4H3
InChIKeyQDCOPCHIPJOCMP-UHFFFAOYSA-N
MW463.56 g/mol
LogP1.68
Rot. Bonds8

About 2,5-dimethoxy-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-N-methylbenzenesulfonamide

2,5-dimethoxy-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-N-methylbenzenesulfonamide (PubChem CID 45375573) has the molecular formula C22H29N3O6S and a molecular weight of 463.56 g/mol. Its IUPAC name is 2,5-dimethoxy-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name2,5-dimethoxy-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-N-methylbenzenesulfonamide
PubChem CID45375573
Molecular FormulaC22H29N3O6S
Molecular Weight463.56 g/mol
Exact Mass463.18
IUPAC Name2,5-dimethoxy-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-N-methylbenzenesulfonamide
SMILESCOc1ccc(OC)c(S(=O)(=O)N(C)CC(=O)N2CCN(c3ccccc3OC)CC2)c1
InChIInChI=1S/C22H29N3O6S/c1-23(32(27,28)21-15-17(29-2)9-10-20(21)31-4)16-22(26)25-13-11-24(12-14-25)18-7-5-6-8-19(18)30-3/h5-10,15H,11-14,16H2,1-4H3
InChIKeyQDCOPCHIPJOCMP-UHFFFAOYSA-N
XLogP1.68
TPSA88.62 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.56
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-(azepan-1-yl)-2-oxoethyl]-2,5-dimethoxy-N-methylbenzenesulfonamide
CID 1259921
2,5-dimethoxy-N-methyl-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide
CID 1259918
N-[2-(4-benzhydrylpiperazin-1-yl)-2-oxoethyl]-2,5-dimethoxy-N-methylbenzenesulfonamide
CID 45375571
2,5-dimethoxy-N-methyl-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide
CID 1022064
N-ethyl-4-methoxy-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]benzenesulfonamide
CID 45372150
ethyl 1-[2-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]acetyl]piperidine-4-carboxylate
CID 45375569
N-benzyl-2-methoxy-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-5-methylbenzenesulfonamide
CID 3954808
N-(2,4-dimethoxyphenyl)-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-4-methylbenzenesulfonamide
CID 51344252
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-2-methoxy-N-methyl-5-propan-2-ylbenzenesulfonamide
CID 30168489
N-[2-(dimethylamino)ethyl]-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]methanesulfonamide
CID 113149824
N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-2-methoxy-N,5-dimethylbenzenesulfonamide
CID 2304415
N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-2-methoxy-N-methyl-5-propan-2-ylbenzenesulfonamide
CID 30168491

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethoxy-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-N-methylbenzenesulfonamide?
The IUPAC name of 2,5-dimethoxy-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-N-methylbenzenesulfonamide (CID 45375573) is 2,5-dimethoxy-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-N-methylbenzenesulfonamide.
What is the SMILES notation for 2,5-dimethoxy-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-N-methylbenzenesulfonamide?
The canonical SMILES for 2,5-dimethoxy-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-N-methylbenzenesulfonamide is COc1ccc(OC)c(S(=O)(=O)N(C)CC(=O)N2CCN(c3ccccc3OC)CC2)c1.
What is the InChIKey of 2,5-dimethoxy-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-N-methylbenzenesulfonamide?
The InChIKey is QDCOPCHIPJOCMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O6S/c1-23(32(27,28)21-15-17(29-2)9-10-20(21)31-4)16-22(26)25-13-11-24(12-14-25)18-7-5-6-8-19(18)30-3/h5-10,15H,11-14,16H2,1-4H3.
What are the key properties of 2,5-dimethoxy-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-N-methylbenzenesulfonamide?
2,5-dimethoxy-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-N-methylbenzenesulfonamide has a molecular weight of 463.56 g/mol, XLogP of 1.68, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethoxy-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-N-methylbenzenesulfonamide is sourced from PubChem (CID 45375573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).