N-(3,5-dimethoxyphenyl)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]acetamide

C21H27N3O6S — CID 3243841

IUPACN-(3,5-dimethoxyphenyl)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]acetamide
SMILESCOc1ccc(S(=O)(=O)N2CCN(CC(=O)Nc3cc(OC)cc(OC)c3)CC2)cc1
InChIInChI=1S/C21H27N3O6S/c1-28-17-4-6-20(7-5-17)31(26,27)24-10-8-23(9-11-24)15-21(25)22-16-12-18(29-2)14-19(13-16)30-3/h4-7,12-14H,8-11,15H2,1-3H3,(H,22,25)
InChIKeyDXZWVLDGSCREJU-UHFFFAOYSA-N
MW449.53 g/mol
LogP1.66
Rot. Bonds8

About N-(3,5-dimethoxyphenyl)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]acetamide

N-(3,5-dimethoxyphenyl)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]acetamide (PubChem CID 3243841) has the molecular formula C21H27N3O6S and a molecular weight of 449.53 g/mol. Its IUPAC name is N-(3,5-dimethoxyphenyl)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3,5-dimethoxyphenyl)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]acetamide
PubChem CID3243841
Molecular FormulaC21H27N3O6S
Molecular Weight449.53 g/mol
Exact Mass449.16
IUPAC NameN-(3,5-dimethoxyphenyl)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]acetamide
SMILESCOc1ccc(S(=O)(=O)N2CCN(CC(=O)Nc3cc(OC)cc(OC)c3)CC2)cc1
InChIInChI=1S/C21H27N3O6S/c1-28-17-4-6-20(7-5-17)31(26,27)24-10-8-23(9-11-24)15-21(25)22-16-12-18(29-2)14-19(13-16)30-3/h4-7,12-14H,8-11,15H2,1-3H3,(H,22,25)
InChIKeyDXZWVLDGSCREJU-UHFFFAOYSA-N
XLogP1.66
TPSA97.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.53
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 1094963
N-(3,4-difluorophenyl)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]acetamide
CID 3235735
N-(4-acetylphenyl)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]acetamide
CID 22200420
N-(2,4-difluorophenyl)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]acetamide
CID 3480596
N-(3-chloro-4-methoxyphenyl)-2-[4-(4-methoxyphenyl)sulfonyl-1,4-diazepan-1-yl]acetamide
CID 3244475
N-(4-chloro-3-nitrophenyl)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]acetamide
CID 22200427
N-[4-(4-methylphenoxy)phenyl]-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 71903027
N-cyclopropyl-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]acetamide
CID 17376128
N-(4-methoxyphenyl)-2-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]acetamide
CID 17424565
N-ethyl-2-[[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]acetyl]amino]acetamide
CID 8687545
N-[(4-methoxyphenyl)carbamoyl]-2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 27202687
2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 3674696

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethoxyphenyl)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]acetamide?
The IUPAC name of N-(3,5-dimethoxyphenyl)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]acetamide (CID 3243841) is N-(3,5-dimethoxyphenyl)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]acetamide.
What is the SMILES notation for N-(3,5-dimethoxyphenyl)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]acetamide?
The canonical SMILES for N-(3,5-dimethoxyphenyl)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]acetamide is COc1ccc(S(=O)(=O)N2CCN(CC(=O)Nc3cc(OC)cc(OC)c3)CC2)cc1.
What is the InChIKey of N-(3,5-dimethoxyphenyl)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]acetamide?
The InChIKey is DXZWVLDGSCREJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O6S/c1-28-17-4-6-20(7-5-17)31(26,27)24-10-8-23(9-11-24)15-21(25)22-16-12-18(29-2)14-19(13-16)30-3/h4-7,12-14H,8-11,15H2,1-3H3,(H,22,25).
What are the key properties of N-(3,5-dimethoxyphenyl)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]acetamide?
N-(3,5-dimethoxyphenyl)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]acetamide has a molecular weight of 449.53 g/mol, XLogP of 1.66, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethoxyphenyl)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]acetamide is sourced from PubChem (CID 3243841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).