N-[4-(4-ethylpiperazine-1-carbonyl)phenyl]-N-prop-2-enylmethanesulfonamide

C17H25N3O3S — CID 2967848

IUPACN-[4-(4-ethylpiperazine-1-carbonyl)phenyl]-N-prop-2-enylmethanesulfonamide
SMILESC=CCN(c1ccc(C(=O)N2CCN(CC)CC2)cc1)S(C)(=O)=O
InChIInChI=1S/C17H25N3O3S/c1-4-10-20(24(3,22)23)16-8-6-15(7-9-16)17(21)19-13-11-18(5-2)12-14-19/h4,6-9H,1,5,10-14H2,2-3H3
InChIKeyXHTOJUHXEZKZLT-UHFFFAOYSA-N
MW351.47 g/mol
LogP1.42
Rot. Bonds6

About N-[4-(4-ethylpiperazine-1-carbonyl)phenyl]-N-prop-2-enylmethanesulfonamide

N-[4-(4-ethylpiperazine-1-carbonyl)phenyl]-N-prop-2-enylmethanesulfonamide (PubChem CID 2967848) has the molecular formula C17H25N3O3S and a molecular weight of 351.47 g/mol. Its IUPAC name is N-[4-(4-ethylpiperazine-1-carbonyl)phenyl]-N-prop-2-enylmethanesulfonamide.

Molecular Properties

Compound NameN-[4-(4-ethylpiperazine-1-carbonyl)phenyl]-N-prop-2-enylmethanesulfonamide
PubChem CID2967848
Molecular FormulaC17H25N3O3S
Molecular Weight351.47 g/mol
Exact Mass351.16
IUPAC NameN-[4-(4-ethylpiperazine-1-carbonyl)phenyl]-N-prop-2-enylmethanesulfonamide
SMILESC=CCN(c1ccc(C(=O)N2CCN(CC)CC2)cc1)S(C)(=O)=O
InChIInChI=1S/C17H25N3O3S/c1-4-10-20(24(3,22)23)16-8-6-15(7-9-16)17(21)19-13-11-18(5-2)12-14-19/h4,6-9H,1,5,10-14H2,2-3H3
InChIKeyXHTOJUHXEZKZLT-UHFFFAOYSA-N
XLogP1.42
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.47
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-N-[4-(4-ethylpiperazine-1-carbonyl)phenyl]methanesulfonamide
CID 21372396
N-(4-hydroxyphenyl)-N-prop-2-enylmethanesulfonamide
CID 67807537
ethyl 4-[[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-methylsulfonylamino]benzoate
CID 113156731
N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-N-(4-iodophenyl)methanesulfonamide
CID 2207186
N-benzyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]methanesulfonamide
CID 23770767
N-(1-methylpiperidin-4-yl)-4-[methylsulfonyl(prop-2-enyl)amino]benzamide
CID 53280013
(4-aminophenyl)-(4-ethylpiperazin-1-yl)methanone;dihydrochloride
CID 119826621
N-(4-ethylphenyl)-N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]methanesulfonamide
CID 113142796
2-[4-(4-ethylbenzoyl)piperazin-1-yl]-N,N-bis(prop-2-enyl)acetamide
CID 55590998
N-(4-bromophenyl)-N-prop-2-enylmethanesulfonamide
CID 10946182
4-[methylsulfonyl(prop-2-enyl)amino]-N-(4-piperidin-1-ylphenyl)benzamide
CID 100511540
4-[methylsulfonyl(prop-2-enyl)amino]-N-phenylbenzamide
CID 967226

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-ethylpiperazine-1-carbonyl)phenyl]-N-prop-2-enylmethanesulfonamide?
The IUPAC name of N-[4-(4-ethylpiperazine-1-carbonyl)phenyl]-N-prop-2-enylmethanesulfonamide (CID 2967848) is N-[4-(4-ethylpiperazine-1-carbonyl)phenyl]-N-prop-2-enylmethanesulfonamide.
What is the SMILES notation for N-[4-(4-ethylpiperazine-1-carbonyl)phenyl]-N-prop-2-enylmethanesulfonamide?
The canonical SMILES for N-[4-(4-ethylpiperazine-1-carbonyl)phenyl]-N-prop-2-enylmethanesulfonamide is C=CCN(c1ccc(C(=O)N2CCN(CC)CC2)cc1)S(C)(=O)=O.
What is the InChIKey of N-[4-(4-ethylpiperazine-1-carbonyl)phenyl]-N-prop-2-enylmethanesulfonamide?
The InChIKey is XHTOJUHXEZKZLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3S/c1-4-10-20(24(3,22)23)16-8-6-15(7-9-16)17(21)19-13-11-18(5-2)12-14-19/h4,6-9H,1,5,10-14H2,2-3H3.
What are the key properties of N-[4-(4-ethylpiperazine-1-carbonyl)phenyl]-N-prop-2-enylmethanesulfonamide?
N-[4-(4-ethylpiperazine-1-carbonyl)phenyl]-N-prop-2-enylmethanesulfonamide has a molecular weight of 351.47 g/mol, XLogP of 1.42, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-ethylpiperazine-1-carbonyl)phenyl]-N-prop-2-enylmethanesulfonamide is sourced from PubChem (CID 2967848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).