N-[4-ethoxy-3-(4-methylpiperazin-1-yl)sulfonylphenyl]acetamide

C15H23N3O4S — CID 51699027

IUPACN-[4-ethoxy-3-(4-methylpiperazin-1-yl)sulfonylphenyl]acetamide
SMILESCCOc1ccc(NC(C)=O)cc1S(=O)(=O)N1CCN(C)CC1
InChIInChI=1S/C15H23N3O4S/c1-4-22-14-6-5-13(16-12(2)19)11-15(14)23(20,21)18-9-7-17(3)8-10-18/h5-6,11H,4,7-10H2,1-3H3,(H,16,19)
InChIKeyHPUYLJKQGLRZLE-UHFFFAOYSA-N
MW341.43 g/mol
LogP0.98
Rot. Bonds5

About N-[4-ethoxy-3-(4-methylpiperazin-1-yl)sulfonylphenyl]acetamide

N-[4-ethoxy-3-(4-methylpiperazin-1-yl)sulfonylphenyl]acetamide (PubChem CID 51699027) has the molecular formula C15H23N3O4S and a molecular weight of 341.43 g/mol. Its IUPAC name is N-[4-ethoxy-3-(4-methylpiperazin-1-yl)sulfonylphenyl]acetamide.

Molecular Properties

Compound NameN-[4-ethoxy-3-(4-methylpiperazin-1-yl)sulfonylphenyl]acetamide
PubChem CID51699027
Molecular FormulaC15H23N3O4S
Molecular Weight341.43 g/mol
Exact Mass341.14
IUPAC NameN-[4-ethoxy-3-(4-methylpiperazin-1-yl)sulfonylphenyl]acetamide
SMILESCCOc1ccc(NC(C)=O)cc1S(=O)(=O)N1CCN(C)CC1
InChIInChI=1S/C15H23N3O4S/c1-4-22-14-6-5-13(16-12(2)19)11-15(14)23(20,21)18-9-7-17(3)8-10-18/h5-6,11H,4,7-10H2,1-3H3,(H,16,19)
InChIKeyHPUYLJKQGLRZLE-UHFFFAOYSA-N
XLogP0.98
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.43
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-amino-N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)propanamide
CID 119270843
4-amino-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)pentanamide
CID 120559201
2-(2,5-dioxopyrrolidin-1-yl)-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 9006776
N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-4-ethylbenzamide
CID 26795599
(2S,4S)-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-2-methylpiperidine-4-carboxamide
CID 120618053
N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)piperidine-4-carboxamide;hydrochloride
CID 119270305
(2S)-2-amino-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-4-methylpentanamide;hydrochloride
CID 119687734
2-amino-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-2-methylpentanamide
CID 119687733
2-bromo-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 26795556
N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)naphthalene-2-carboxamide
CID 26189255
1-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)-3-[(2S)-1-hydroxypropan-2-yl]urea
CID 51945406
(2S)-2-amino-N-(4-ethoxy-3-morpholin-4-ylsulfonylphenyl)-4-methylpentanamide
CID 119693241

Frequently Asked Questions

What is the IUPAC name of N-[4-ethoxy-3-(4-methylpiperazin-1-yl)sulfonylphenyl]acetamide?
The IUPAC name of N-[4-ethoxy-3-(4-methylpiperazin-1-yl)sulfonylphenyl]acetamide (CID 51699027) is N-[4-ethoxy-3-(4-methylpiperazin-1-yl)sulfonylphenyl]acetamide.
What is the SMILES notation for N-[4-ethoxy-3-(4-methylpiperazin-1-yl)sulfonylphenyl]acetamide?
The canonical SMILES for N-[4-ethoxy-3-(4-methylpiperazin-1-yl)sulfonylphenyl]acetamide is CCOc1ccc(NC(C)=O)cc1S(=O)(=O)N1CCN(C)CC1.
What is the InChIKey of N-[4-ethoxy-3-(4-methylpiperazin-1-yl)sulfonylphenyl]acetamide?
The InChIKey is HPUYLJKQGLRZLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O4S/c1-4-22-14-6-5-13(16-12(2)19)11-15(14)23(20,21)18-9-7-17(3)8-10-18/h5-6,11H,4,7-10H2,1-3H3,(H,16,19).
What are the key properties of N-[4-ethoxy-3-(4-methylpiperazin-1-yl)sulfonylphenyl]acetamide?
N-[4-ethoxy-3-(4-methylpiperazin-1-yl)sulfonylphenyl]acetamide has a molecular weight of 341.43 g/mol, XLogP of 0.98, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-ethoxy-3-(4-methylpiperazin-1-yl)sulfonylphenyl]acetamide is sourced from PubChem (CID 51699027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).