N-ethyl-2-[[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]acetyl]amino]acetamide

C17H26N4O5S — CID 8687545

IUPACN-ethyl-2-[[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]acetyl]amino]acetamide
SMILESCCNC(=O)CNC(=O)CN1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1
InChIInChI=1S/C17H26N4O5S/c1-3-18-16(22)12-19-17(23)13-20-8-10-21(11-9-20)27(24,25)15-6-4-14(26-2)5-7-15/h4-7H,3,8-13H2,1-2H3,(H,18,22)(H,19,23)
InChIKeyMIFZAXSZQVGNBB-UHFFFAOYSA-N
MW398.49 g/mol
LogP-0.75
Rot. Bonds8

About N-ethyl-2-[[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]acetyl]amino]acetamide

N-ethyl-2-[[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]acetyl]amino]acetamide (PubChem CID 8687545) has the molecular formula C17H26N4O5S and a molecular weight of 398.49 g/mol. Its IUPAC name is N-ethyl-2-[[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]acetyl]amino]acetamide.

Molecular Properties

Compound NameN-ethyl-2-[[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]acetyl]amino]acetamide
PubChem CID8687545
Molecular FormulaC17H26N4O5S
Molecular Weight398.49 g/mol
Exact Mass398.16
IUPAC NameN-ethyl-2-[[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]acetyl]amino]acetamide
SMILESCCNC(=O)CNC(=O)CN1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1
InChIInChI=1S/C17H26N4O5S/c1-3-18-16(22)12-19-17(23)13-20-8-10-21(11-9-20)27(24,25)15-6-4-14(26-2)5-7-15/h4-7H,3,8-13H2,1-2H3,(H,18,22)(H,19,23)
InChIKeyMIFZAXSZQVGNBB-UHFFFAOYSA-N
XLogP-0.75
TPSA108.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.49
LogP ≤ 5-0.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]acetyl]amino]-N-propylacetamide
CID 8687525
N-ethyl-2-[[2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)acetyl]amino]acetamide
CID 8692331
N-ethyl-2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]acetamide
CID 27125327
N-cyclopropyl-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]acetamide
CID 17376128
N-(3,5-dimethoxyphenyl)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]acetamide
CID 3243841
N-cyclohexyl-2-[4-(4-methoxyphenyl)sulfonyl-1,4-diazepan-1-yl]acetamide
CID 52920699
1-ethyl-4-(4-methoxyphenyl)sulfonylpiperazine
CID 843240
2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 1094963
N-(4-acetylphenyl)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]acetamide
CID 22200420
2-[[2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]acetyl]amino]-N-methylacetamide
CID 8688551
2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 3674696
2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-N-(2-methylpropyl)acetamide
CID 8746920

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]acetyl]amino]acetamide?
The IUPAC name of N-ethyl-2-[[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]acetyl]amino]acetamide (CID 8687545) is N-ethyl-2-[[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]acetyl]amino]acetamide.
What is the SMILES notation for N-ethyl-2-[[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]acetyl]amino]acetamide?
The canonical SMILES for N-ethyl-2-[[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]acetyl]amino]acetamide is CCNC(=O)CNC(=O)CN1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1.
What is the InChIKey of N-ethyl-2-[[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]acetyl]amino]acetamide?
The InChIKey is MIFZAXSZQVGNBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O5S/c1-3-18-16(22)12-19-17(23)13-20-8-10-21(11-9-20)27(24,25)15-6-4-14(26-2)5-7-15/h4-7H,3,8-13H2,1-2H3,(H,18,22)(H,19,23).
What are the key properties of N-ethyl-2-[[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]acetyl]amino]acetamide?
N-ethyl-2-[[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]acetyl]amino]acetamide has a molecular weight of 398.49 g/mol, XLogP of -0.75, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]acetyl]amino]acetamide is sourced from PubChem (CID 8687545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).