(E)-N-[2-[4-(2-hydroxypropanoyl)piperazin-1-yl]-2-oxoethyl]-2-(4-methylphenyl)ethenesulfonamide

C18H25N3O5S — CID 75437410

IUPAC(E)-N-[2-[4-(2-hydroxypropanoyl)piperazin-1-yl]-2-oxoethyl]-2-(4-methylphenyl)ethenesulfonamide
SMILESCc1ccc(/C=C/S(=O)(=O)NCC(=O)N2CCN(C(=O)C(C)O)CC2)cc1
InChIInChI=1S/C18H25N3O5S/c1-14-3-5-16(6-4-14)7-12-27(25,26)19-13-17(23)20-8-10-21(11-9-20)18(24)15(2)22/h3-7,12,15,19,22H,8-11,13H2,1-2H3/b12-7+
InChIKeySCSKNTUYPZKFLG-KPKJPENVSA-N
MW395.48 g/mol
LogP-0.06
Rot. Bonds6

About (E)-N-[2-[4-(2-hydroxypropanoyl)piperazin-1-yl]-2-oxoethyl]-2-(4-methylphenyl)ethenesulfonamide

(E)-N-[2-[4-(2-hydroxypropanoyl)piperazin-1-yl]-2-oxoethyl]-2-(4-methylphenyl)ethenesulfonamide (PubChem CID 75437410) has the molecular formula C18H25N3O5S and a molecular weight of 395.48 g/mol. Its IUPAC name is (E)-N-[2-[4-(2-hydroxypropanoyl)piperazin-1-yl]-2-oxoethyl]-2-(4-methylphenyl)ethenesulfonamide.

Molecular Properties

Compound Name(E)-N-[2-[4-(2-hydroxypropanoyl)piperazin-1-yl]-2-oxoethyl]-2-(4-methylphenyl)ethenesulfonamide
PubChem CID75437410
Molecular FormulaC18H25N3O5S
Molecular Weight395.48 g/mol
Exact Mass395.15
IUPAC Name(E)-N-[2-[4-(2-hydroxypropanoyl)piperazin-1-yl]-2-oxoethyl]-2-(4-methylphenyl)ethenesulfonamide
SMILESCc1ccc(/C=C/S(=O)(=O)NCC(=O)N2CCN(C(=O)C(C)O)CC2)cc1
InChIInChI=1S/C18H25N3O5S/c1-14-3-5-16(6-4-14)7-12-27(25,26)19-13-17(23)20-8-10-21(11-9-20)18(24)15(2)22/h3-7,12,15,19,22H,8-11,13H2,1-2H3/b12-7+
InChIKeySCSKNTUYPZKFLG-KPKJPENVSA-N
XLogP-0.06
TPSA107.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.48
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (E)-N-[2-[4-(2-hydroxypropanoyl)piperazin-1-yl]-2-oxoethyl]-2-(4-methylphenyl)ethenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2-morpholin-4-yl-2-oxoethyl) 2-[[(E)-2-(4-methylphenyl)ethenyl]sulfonylamino]acetate
CID 7397934
(E)-N-(2-oxo-2-piperazin-1-ylethyl)-2-phenylethenesulfonamide
CID 60893294
[1-(4-methylanilino)-1-oxopropan-2-yl] 2-[[(E)-2-(4-methylphenyl)ethenyl]sulfonylamino]acetate
CID 18205951
N-cyclohexyl-2-[[(E)-2-(4-methylphenyl)ethenyl]sulfonylamino]acetamide
CID 26534933
[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 2-[[(E)-2-(4-methylphenyl)ethenyl]sulfonylamino]acetate
CID 7397901
[1-(4-acetamidoanilino)-1-oxopropan-2-yl] 2-[[(E)-2-(4-methylphenyl)ethenyl]sulfonylamino]acetate
CID 24979995
[2-[bis(2-methylpropyl)amino]-2-oxoethyl] 2-[[(E)-2-(4-methylphenyl)ethenyl]sulfonylamino]acetate
CID 7397883
2-[[(E)-2-(4-methylphenyl)ethenyl]sulfonylamino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 37244507
2-chloroprop-2-enyl 2-[[(E)-2-(4-methylphenyl)ethenyl]sulfonylamino]acetate
CID 27278992
(E)-2-(4-methylphenyl)-N-[2-[2-(1-methylpyrrol-2-yl)azepan-1-yl]-2-oxoethyl]ethenesulfonamide
CID 24685014
3-[[(E)-2-(4-methylphenyl)ethenyl]sulfonylamino]-N-[(4-methylphenyl)methyl]propanamide
CID 7995029
2-[4-[[(E)-2-(4-methylphenyl)ethenyl]sulfonylamino]piperidin-1-yl]acetamide
CID 56797547

Frequently Asked Questions

What is the IUPAC name of (E)-N-[2-[4-(2-hydroxypropanoyl)piperazin-1-yl]-2-oxoethyl]-2-(4-methylphenyl)ethenesulfonamide?
The IUPAC name of (E)-N-[2-[4-(2-hydroxypropanoyl)piperazin-1-yl]-2-oxoethyl]-2-(4-methylphenyl)ethenesulfonamide (CID 75437410) is (E)-N-[2-[4-(2-hydroxypropanoyl)piperazin-1-yl]-2-oxoethyl]-2-(4-methylphenyl)ethenesulfonamide.
What is the SMILES notation for (E)-N-[2-[4-(2-hydroxypropanoyl)piperazin-1-yl]-2-oxoethyl]-2-(4-methylphenyl)ethenesulfonamide?
The canonical SMILES for (E)-N-[2-[4-(2-hydroxypropanoyl)piperazin-1-yl]-2-oxoethyl]-2-(4-methylphenyl)ethenesulfonamide is Cc1ccc(/C=C/S(=O)(=O)NCC(=O)N2CCN(C(=O)C(C)O)CC2)cc1.
What is the InChIKey of (E)-N-[2-[4-(2-hydroxypropanoyl)piperazin-1-yl]-2-oxoethyl]-2-(4-methylphenyl)ethenesulfonamide?
The InChIKey is SCSKNTUYPZKFLG-KPKJPENVSA-N. The full InChI is InChI=1S/C18H25N3O5S/c1-14-3-5-16(6-4-14)7-12-27(25,26)19-13-17(23)20-8-10-21(11-9-20)18(24)15(2)22/h3-7,12,15,19,22H,8-11,13H2,1-2H3/b12-7+.
What are the key properties of (E)-N-[2-[4-(2-hydroxypropanoyl)piperazin-1-yl]-2-oxoethyl]-2-(4-methylphenyl)ethenesulfonamide?
(E)-N-[2-[4-(2-hydroxypropanoyl)piperazin-1-yl]-2-oxoethyl]-2-(4-methylphenyl)ethenesulfonamide has a molecular weight of 395.48 g/mol, XLogP of -0.06, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-[4-(2-hydroxypropanoyl)piperazin-1-yl]-2-oxoethyl]-2-(4-methylphenyl)ethenesulfonamide is sourced from PubChem (CID 75437410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).