N-(2-methoxyethyl)-4-(4-sulfamoylphenyl)piperazine-1-carboxamide

C14H22N4O4S — CID 86776771

IUPACN-(2-methoxyethyl)-4-(4-sulfamoylphenyl)piperazine-1-carboxamide
SMILESCOCCNC(=O)N1CCN(c2ccc(S(N)(=O)=O)cc2)CC1
InChIInChI=1S/C14H22N4O4S/c1-22-11-6-16-14(19)18-9-7-17(8-10-18)12-2-4-13(5-3-12)23(15,20)21/h2-5H,6-11H2,1H3,(H,16,19)(H2,15,20,21)
InChIKeyNRDANURCKIVIQS-UHFFFAOYSA-N
MW342.42 g/mol
LogP-0.19
Rot. Bonds5

About N-(2-methoxyethyl)-4-(4-sulfamoylphenyl)piperazine-1-carboxamide

N-(2-methoxyethyl)-4-(4-sulfamoylphenyl)piperazine-1-carboxamide (PubChem CID 86776771) has the molecular formula C14H22N4O4S and a molecular weight of 342.42 g/mol. Its IUPAC name is N-(2-methoxyethyl)-4-(4-sulfamoylphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-4-(4-sulfamoylphenyl)piperazine-1-carboxamide
PubChem CID86776771
Molecular FormulaC14H22N4O4S
Molecular Weight342.42 g/mol
Exact Mass342.14
IUPAC NameN-(2-methoxyethyl)-4-(4-sulfamoylphenyl)piperazine-1-carboxamide
SMILESCOCCNC(=O)N1CCN(c2ccc(S(N)(=O)=O)cc2)CC1
InChIInChI=1S/C14H22N4O4S/c1-22-11-6-16-14(19)18-9-7-17(8-10-18)12-2-4-13(5-3-12)23(15,20)21/h2-5H,6-11H2,1H3,(H,16,19)(H2,15,20,21)
InChIKeyNRDANURCKIVIQS-UHFFFAOYSA-N
XLogP-0.19
TPSA104.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(4-chlorophenyl)-N-(2-methoxyethyl)piperazine-1-carboxamide
CID 47442442
N-(2-methoxyethyl)-4-[4-(4-methylpiperidin-1-yl)phenyl]piperazine-1-carboxamide
CID 113105117
N-(3-methoxypropyl)-4-phenylpiperazine-1-carboxamide
CID 47128071
4-(2-bromophenyl)-N-(2-methoxyethyl)piperazine-1-carboxamide
CID 113105123
N-(2-methoxyethyl)-4-(4-methoxyphenyl)sulfonylpiperidine-1-carboxamide
CID 90591979
4-(4-fluorophenyl)-N-(2-methoxyethoxymethyl)piperazine-1-carboxamide
CID 108894345
ethyl 4-[2-(4-sulfamoylphenyl)ethylcarbamoyl]piperazine-1-carboxylate
CID 108989656
4-(4-bromo-3-methylphenyl)-N-(3-methoxypropyl)piperazine-1-carboxamide
CID 113105384
N-[2-(4-ethoxyphenoxy)ethyl]-4-(4-methoxyphenyl)piperazine-1-carboxamide
CID 22830514
4-[2,6-di(propan-2-yl)phenyl]-N-(2-methoxyethyl)piperazine-1-carboxamide
CID 113105129
1-N'-(2-methoxyethyl)-1-N-[2-(4-sulfamoylphenyl)ethyl]cyclopropane-1,1-dicarboxamide
CID 108972706
4-(4-fluorophenyl)-N-[4-(2-methoxyethylcarbamoyl)phenyl]piperazine-1-carboxamide
CID 56763318

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-4-(4-sulfamoylphenyl)piperazine-1-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-4-(4-sulfamoylphenyl)piperazine-1-carboxamide (CID 86776771) is N-(2-methoxyethyl)-4-(4-sulfamoylphenyl)piperazine-1-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-4-(4-sulfamoylphenyl)piperazine-1-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-4-(4-sulfamoylphenyl)piperazine-1-carboxamide is COCCNC(=O)N1CCN(c2ccc(S(N)(=O)=O)cc2)CC1.
What is the InChIKey of N-(2-methoxyethyl)-4-(4-sulfamoylphenyl)piperazine-1-carboxamide?
The InChIKey is NRDANURCKIVIQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O4S/c1-22-11-6-16-14(19)18-9-7-17(8-10-18)12-2-4-13(5-3-12)23(15,20)21/h2-5H,6-11H2,1H3,(H,16,19)(H2,15,20,21).
What are the key properties of N-(2-methoxyethyl)-4-(4-sulfamoylphenyl)piperazine-1-carboxamide?
N-(2-methoxyethyl)-4-(4-sulfamoylphenyl)piperazine-1-carboxamide has a molecular weight of 342.42 g/mol, XLogP of -0.19, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-4-(4-sulfamoylphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 86776771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).