2,3-dimethoxy-N-[2-[4-(2-phenylethyl)piperazin-1-yl]sulfonylethyl]benzamide

C23H31N3O5S — CID 16881215

IUPAC2,3-dimethoxy-N-[2-[4-(2-phenylethyl)piperazin-1-yl]sulfonylethyl]benzamide
SMILESCOc1cccc(C(=O)NCCS(=O)(=O)N2CCN(CCc3ccccc3)CC2)c1OC
InChIInChI=1S/C23H31N3O5S/c1-30-21-10-6-9-20(22(21)31-2)23(27)24-12-18-32(28,29)26-16-14-25(15-17-26)13-11-19-7-4-3-5-8-19/h3-10H,11-18H2,1-2H3,(H,24,27)
InChIKeyREBRYEFYXODAOM-UHFFFAOYSA-N
MW461.58 g/mol
LogP1.62
Rot. Bonds10

About 2,3-dimethoxy-N-[2-[4-(2-phenylethyl)piperazin-1-yl]sulfonylethyl]benzamide

2,3-dimethoxy-N-[2-[4-(2-phenylethyl)piperazin-1-yl]sulfonylethyl]benzamide (PubChem CID 16881215) has the molecular formula C23H31N3O5S and a molecular weight of 461.58 g/mol. Its IUPAC name is 2,3-dimethoxy-N-[2-[4-(2-phenylethyl)piperazin-1-yl]sulfonylethyl]benzamide.

Molecular Properties

Compound Name2,3-dimethoxy-N-[2-[4-(2-phenylethyl)piperazin-1-yl]sulfonylethyl]benzamide
PubChem CID16881215
Molecular FormulaC23H31N3O5S
Molecular Weight461.58 g/mol
Exact Mass461.20
IUPAC Name2,3-dimethoxy-N-[2-[4-(2-phenylethyl)piperazin-1-yl]sulfonylethyl]benzamide
SMILESCOc1cccc(C(=O)NCCS(=O)(=O)N2CCN(CCc3ccccc3)CC2)c1OC
InChIInChI=1S/C23H31N3O5S/c1-30-21-10-6-9-20(22(21)31-2)23(27)24-12-18-32(28,29)26-16-14-25(15-17-26)13-11-19-7-4-3-5-8-19/h3-10H,11-18H2,1-2H3,(H,24,27)
InChIKeyREBRYEFYXODAOM-UHFFFAOYSA-N
XLogP1.62
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.58
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-methyl-N-[2-[4-(2-phenylethyl)piperazin-1-yl]sulfonylethyl]benzamide
CID 16881195
2-ethyl-N-[2-[4-(2-phenylethyl)piperazin-1-yl]sulfonylethyl]butanamide
CID 16881163
N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylethyl]naphthalene-1-carboxamide
CID 22578896
2-naphthalen-1-yl-N-[2-[4-(2-phenylethyl)piperazin-1-yl]sulfonylethyl]acetamide
CID 16881299
N-[2-(benzenesulfonyl)ethyl]-2,3-dimethoxybenzamide
CID 47038001
N-[2-(4-benzylpiperazin-1-yl)sulfonylethyl]-2,4-dimethoxybenzamide
CID 16881045
2-methoxy-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]benzamide
CID 47790621
5-bromo-N-[2-[4-(2-phenylethyl)piperazin-1-yl]sulfonylethyl]furan-2-carboxamide
CID 16881315
2,3-dimethoxy-N-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]benzamide
CID 42438465
3,4-difluoro-N-[2-[4-(2-phenylethyl)piperazin-1-yl]sulfonylethyl]benzamide
CID 16881239
2-(4-fluorophenoxy)-N-[2-[4-(2-phenylethyl)piperazin-1-yl]sulfonylethyl]acetamide
CID 16881283
4-[2-[(2,3-dimethoxybenzoyl)amino]ethyl]benzoic acid
CID 45347542

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethoxy-N-[2-[4-(2-phenylethyl)piperazin-1-yl]sulfonylethyl]benzamide?
The IUPAC name of 2,3-dimethoxy-N-[2-[4-(2-phenylethyl)piperazin-1-yl]sulfonylethyl]benzamide (CID 16881215) is 2,3-dimethoxy-N-[2-[4-(2-phenylethyl)piperazin-1-yl]sulfonylethyl]benzamide.
What is the SMILES notation for 2,3-dimethoxy-N-[2-[4-(2-phenylethyl)piperazin-1-yl]sulfonylethyl]benzamide?
The canonical SMILES for 2,3-dimethoxy-N-[2-[4-(2-phenylethyl)piperazin-1-yl]sulfonylethyl]benzamide is COc1cccc(C(=O)NCCS(=O)(=O)N2CCN(CCc3ccccc3)CC2)c1OC.
What is the InChIKey of 2,3-dimethoxy-N-[2-[4-(2-phenylethyl)piperazin-1-yl]sulfonylethyl]benzamide?
The InChIKey is REBRYEFYXODAOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O5S/c1-30-21-10-6-9-20(22(21)31-2)23(27)24-12-18-32(28,29)26-16-14-25(15-17-26)13-11-19-7-4-3-5-8-19/h3-10H,11-18H2,1-2H3,(H,24,27).
What are the key properties of 2,3-dimethoxy-N-[2-[4-(2-phenylethyl)piperazin-1-yl]sulfonylethyl]benzamide?
2,3-dimethoxy-N-[2-[4-(2-phenylethyl)piperazin-1-yl]sulfonylethyl]benzamide has a molecular weight of 461.58 g/mol, XLogP of 1.62, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethoxy-N-[2-[4-(2-phenylethyl)piperazin-1-yl]sulfonylethyl]benzamide is sourced from PubChem (CID 16881215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).