N-prop-2-enyl-4-[2-(4-sulfamoylphenyl)ethyl]piperazine-1-carboxamide

C16H24N4O3S — CID 113103670

IUPACN-prop-2-enyl-4-[2-(4-sulfamoylphenyl)ethyl]piperazine-1-carboxamide
SMILESC=CCNC(=O)N1CCN(CCc2ccc(S(N)(=O)=O)cc2)CC1
InChIInChI=1S/C16H24N4O3S/c1-2-8-18-16(21)20-12-10-19(11-13-20)9-7-14-3-5-15(6-4-14)24(17,22)23/h2-6H,1,7-13H2,(H,18,21)(H2,17,22,23)
InChIKeyMSFAVIWKZUCDBJ-UHFFFAOYSA-N
MW352.46 g/mol
LogP0.39
Rot. Bonds6

About N-prop-2-enyl-4-[2-(4-sulfamoylphenyl)ethyl]piperazine-1-carboxamide

N-prop-2-enyl-4-[2-(4-sulfamoylphenyl)ethyl]piperazine-1-carboxamide (PubChem CID 113103670) has the molecular formula C16H24N4O3S and a molecular weight of 352.46 g/mol. Its IUPAC name is N-prop-2-enyl-4-[2-(4-sulfamoylphenyl)ethyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-prop-2-enyl-4-[2-(4-sulfamoylphenyl)ethyl]piperazine-1-carboxamide
PubChem CID113103670
Molecular FormulaC16H24N4O3S
Molecular Weight352.46 g/mol
Exact Mass352.16
IUPAC NameN-prop-2-enyl-4-[2-(4-sulfamoylphenyl)ethyl]piperazine-1-carboxamide
SMILESC=CCNC(=O)N1CCN(CCc2ccc(S(N)(=O)=O)cc2)CC1
InChIInChI=1S/C16H24N4O3S/c1-2-8-18-16(21)20-12-10-19(11-13-20)9-7-14-3-5-15(6-4-14)24(17,22)23/h2-6H,1,7-13H2,(H,18,21)(H2,17,22,23)
InChIKeyMSFAVIWKZUCDBJ-UHFFFAOYSA-N
XLogP0.39
TPSA95.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[2-(4-methoxyphenyl)ethyl]-N-prop-2-enylpiperazine-1-carboxamide
CID 51096013
N-pentyl-4-[2-(4-sulfamoylphenyl)ethyl]piperazine-1-carboxamide
CID 113109842
N-(oxolan-2-ylmethyl)-4-[2-(4-sulfamoylphenyl)ethyl]piperazine-1-carboxamide
CID 113105545
4-[2-[4-(3-methylbutanoyl)piperazin-1-yl]ethyl]benzenesulfonamide
CID 113074464
ethyl 4-[2-(4-sulfamoylphenyl)ethylcarbamoyl]piperazine-1-carboxylate
CID 108989656
4-[2-(2,4-dichlorophenyl)ethyl]-N-prop-2-enylpiperazine-1-carboxamide
CID 113103681
4-[3-(4-methylpiperazin-1-yl)propyl]benzenesulfonamide
CID 170862464
ethyl 4-[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]piperazine-1-carboxylate
CID 27154557
5-N-prop-2-enyl-3-N-[2-(4-sulfamoylphenyl)ethyl]pyridine-3,5-dicarboxamide
CID 109101769
1-(2-morpholin-4-ylethyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea
CID 108988277
2-(4-benzylpiperazin-1-yl)-2-oxo-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 108516978
4-[(4-chlorophenyl)methyl]-N-(4-sulfamoylphenyl)-1,4-diazepane-1-carboxamide
CID 24650997

Frequently Asked Questions

What is the IUPAC name of N-prop-2-enyl-4-[2-(4-sulfamoylphenyl)ethyl]piperazine-1-carboxamide?
The IUPAC name of N-prop-2-enyl-4-[2-(4-sulfamoylphenyl)ethyl]piperazine-1-carboxamide (CID 113103670) is N-prop-2-enyl-4-[2-(4-sulfamoylphenyl)ethyl]piperazine-1-carboxamide.
What is the SMILES notation for N-prop-2-enyl-4-[2-(4-sulfamoylphenyl)ethyl]piperazine-1-carboxamide?
The canonical SMILES for N-prop-2-enyl-4-[2-(4-sulfamoylphenyl)ethyl]piperazine-1-carboxamide is C=CCNC(=O)N1CCN(CCc2ccc(S(N)(=O)=O)cc2)CC1.
What is the InChIKey of N-prop-2-enyl-4-[2-(4-sulfamoylphenyl)ethyl]piperazine-1-carboxamide?
The InChIKey is MSFAVIWKZUCDBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O3S/c1-2-8-18-16(21)20-12-10-19(11-13-20)9-7-14-3-5-15(6-4-14)24(17,22)23/h2-6H,1,7-13H2,(H,18,21)(H2,17,22,23).
What are the key properties of N-prop-2-enyl-4-[2-(4-sulfamoylphenyl)ethyl]piperazine-1-carboxamide?
N-prop-2-enyl-4-[2-(4-sulfamoylphenyl)ethyl]piperazine-1-carboxamide has a molecular weight of 352.46 g/mol, XLogP of 0.39, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enyl-4-[2-(4-sulfamoylphenyl)ethyl]piperazine-1-carboxamide is sourced from PubChem (CID 113103670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).