(E)-2-phenyl-N-[4-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]phenyl]ethenesulfonamide

C28H29N3O3S — CID 55349767

IUPAC(E)-2-phenyl-N-[4-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]phenyl]ethenesulfonamide
SMILESO=C(c1ccc(NS(=O)(=O)/C=C/c2ccccc2)cc1)N1CCN(C/C=C/c2ccccc2)CC1
InChIInChI=1S/C28H29N3O3S/c32-28(31-21-19-30(20-22-31)18-7-12-24-8-3-1-4-9-24)26-13-15-27(16-14-26)29-35(33,34)23-17-25-10-5-2-6-11-25/h1-17,23,29H,18-22H2/b12-7+,23-17+
InChIKeyKPVYVSONIHKVLN-MHFLUBTPSA-N
MW487.63 g/mol
LogP4.57
Rot. Bonds8

About (E)-2-phenyl-N-[4-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]phenyl]ethenesulfonamide

(E)-2-phenyl-N-[4-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]phenyl]ethenesulfonamide (PubChem CID 55349767) has the molecular formula C28H29N3O3S and a molecular weight of 487.63 g/mol. Its IUPAC name is (E)-2-phenyl-N-[4-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]phenyl]ethenesulfonamide.

Molecular Properties

Compound Name(E)-2-phenyl-N-[4-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]phenyl]ethenesulfonamide
PubChem CID55349767
Molecular FormulaC28H29N3O3S
Molecular Weight487.63 g/mol
Exact Mass487.19
IUPAC Name(E)-2-phenyl-N-[4-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]phenyl]ethenesulfonamide
SMILESO=C(c1ccc(NS(=O)(=O)/C=C/c2ccccc2)cc1)N1CCN(C/C=C/c2ccccc2)CC1
InChIInChI=1S/C28H29N3O3S/c32-28(31-21-19-30(20-22-31)18-7-12-24-8-3-1-4-9-24)26-13-15-27(16-14-26)29-35(33,34)23-17-25-10-5-2-6-11-25/h1-17,23,29H,18-22H2/b12-7+,23-17+
InChIKeyKPVYVSONIHKVLN-MHFLUBTPSA-N
XLogP4.57
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.63
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]phenyl]methanesulfonamide
CID 17200401
(4-bromophenyl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
CID 1227467
(E)-N-[4-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-2-phenylethenesulfonamide
CID 55347658
N,N-dimethyl-4-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]benzenesulfonamide
CID 2422630
[3-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]phenyl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
CID 6103975
[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-(4-pyrrolidin-1-ylphenyl)methanone
CID 110295151
4-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]benzonitrile
CID 18104688
naphthalen-2-yl-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone
CID 3958448
4-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]-N-propan-2-ylbenzamide
CID 109043130
(E)-N-[4-[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carbonyl]phenyl]-2-phenylethenesulfonamide
CID 9164284
4-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]-N-prop-2-ynylbenzenesulfonamide
CID 55491399
(3,4-dihydroxyphenyl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
CID 113199241

Frequently Asked Questions

What is the IUPAC name of (E)-2-phenyl-N-[4-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]phenyl]ethenesulfonamide?
The IUPAC name of (E)-2-phenyl-N-[4-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]phenyl]ethenesulfonamide (CID 55349767) is (E)-2-phenyl-N-[4-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]phenyl]ethenesulfonamide.
What is the SMILES notation for (E)-2-phenyl-N-[4-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]phenyl]ethenesulfonamide?
The canonical SMILES for (E)-2-phenyl-N-[4-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]phenyl]ethenesulfonamide is O=C(c1ccc(NS(=O)(=O)/C=C/c2ccccc2)cc1)N1CCN(C/C=C/c2ccccc2)CC1.
What is the InChIKey of (E)-2-phenyl-N-[4-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]phenyl]ethenesulfonamide?
The InChIKey is KPVYVSONIHKVLN-MHFLUBTPSA-N. The full InChI is InChI=1S/C28H29N3O3S/c32-28(31-21-19-30(20-22-31)18-7-12-24-8-3-1-4-9-24)26-13-15-27(16-14-26)29-35(33,34)23-17-25-10-5-2-6-11-25/h1-17,23,29H,18-22H2/b12-7+,23-17+.
What are the key properties of (E)-2-phenyl-N-[4-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]phenyl]ethenesulfonamide?
(E)-2-phenyl-N-[4-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]phenyl]ethenesulfonamide has a molecular weight of 487.63 g/mol, XLogP of 4.57, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-phenyl-N-[4-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]phenyl]ethenesulfonamide is sourced from PubChem (CID 55349767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).