2-(2-methoxyethoxy)-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]ethanesulfonamide

C17H27N3O5S — CID 110609685

IUPAC2-(2-methoxyethoxy)-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]ethanesulfonamide
SMILESCOCCOCCS(=O)(=O)Nc1ccc(C(=O)N2CCN(C)CC2)cc1
InChIInChI=1S/C17H27N3O5S/c1-19-7-9-20(10-8-19)17(21)15-3-5-16(6-4-15)18-26(22,23)14-13-25-12-11-24-2/h3-6,18H,7-14H2,1-2H3
InChIKeySQRHYDKOPIQGSN-UHFFFAOYSA-N
MW385.49 g/mol
LogP0.48
Rot. Bonds9

About 2-(2-methoxyethoxy)-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]ethanesulfonamide

2-(2-methoxyethoxy)-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]ethanesulfonamide (PubChem CID 110609685) has the molecular formula C17H27N3O5S and a molecular weight of 385.49 g/mol. Its IUPAC name is 2-(2-methoxyethoxy)-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]ethanesulfonamide.

Molecular Properties

Compound Name2-(2-methoxyethoxy)-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]ethanesulfonamide
PubChem CID110609685
Molecular FormulaC17H27N3O5S
Molecular Weight385.49 g/mol
Exact Mass385.17
IUPAC Name2-(2-methoxyethoxy)-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]ethanesulfonamide
SMILESCOCCOCCS(=O)(=O)Nc1ccc(C(=O)N2CCN(C)CC2)cc1
InChIInChI=1S/C17H27N3O5S/c1-19-7-9-20(10-8-19)17(21)15-3-5-16(6-4-15)18-26(22,23)14-13-25-12-11-24-2/h3-6,18H,7-14H2,1-2H3
InChIKeySQRHYDKOPIQGSN-UHFFFAOYSA-N
XLogP0.48
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.49
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[4-(cyclopropanecarbonyl)phenyl]-2-(2-methoxyethoxy)ethanesulfonamide
CID 110612793
N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2-(2-methoxyethoxy)ethanesulfonamide
CID 110623026
N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-methoxyethanesulfonamide
CID 110615144
N-(3-methoxypropyl)-4-(4-methylpiperazine-1-carbonyl)benzenesulfonamide
CID 109059876
4-[[4-(4-methylpiperazine-1-carbonyl)phenyl]sulfamoyl]benzoic acid
CID 108782929
N-[4-(morpholine-4-carbonyl)phenyl]propane-1-sulfonamide
CID 87027248
N-[4-[4-(2-methoxyacetyl)piperazine-1-carbonyl]phenyl]methanesulfonamide
CID 108535322
N-[4-(piperazine-1-carbonyl)phenyl]propane-1-sulfonamide;hydrochloride
CID 119401361
N-[4-(piperidine-1-carbonyl)phenyl]ethanesulfonamide
CID 2995976
4-ethyl-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]benzenesulfonamide
CID 110602635
2-(2-methoxyethoxy)-N-(4-phenoxyphenyl)ethanesulfonamide
CID 110425621
N-[1-[4-(methanesulfonamido)benzoyl]piperidin-4-yl]-2-(2-methoxyethoxy)acetamide
CID 108557729

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethoxy)-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]ethanesulfonamide?
The IUPAC name of 2-(2-methoxyethoxy)-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]ethanesulfonamide (CID 110609685) is 2-(2-methoxyethoxy)-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]ethanesulfonamide.
What is the SMILES notation for 2-(2-methoxyethoxy)-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]ethanesulfonamide?
The canonical SMILES for 2-(2-methoxyethoxy)-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]ethanesulfonamide is COCCOCCS(=O)(=O)Nc1ccc(C(=O)N2CCN(C)CC2)cc1.
What is the InChIKey of 2-(2-methoxyethoxy)-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]ethanesulfonamide?
The InChIKey is SQRHYDKOPIQGSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O5S/c1-19-7-9-20(10-8-19)17(21)15-3-5-16(6-4-15)18-26(22,23)14-13-25-12-11-24-2/h3-6,18H,7-14H2,1-2H3.
What are the key properties of 2-(2-methoxyethoxy)-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]ethanesulfonamide?
2-(2-methoxyethoxy)-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]ethanesulfonamide has a molecular weight of 385.49 g/mol, XLogP of 0.48, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethoxy)-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]ethanesulfonamide is sourced from PubChem (CID 110609685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).