N-naphthalen-1-yl-N-[2-oxo-2-[4-(3-phenylprop-2-enyl)piperazin-1-yl]ethyl]methanesulfonamide

C26H29N3O3S — CID 71950909

IUPACN-naphthalen-1-yl-N-[2-oxo-2-[4-(3-phenylprop-2-enyl)piperazin-1-yl]ethyl]methanesulfonamide
SMILESCS(=O)(=O)N(CC(=O)N1CCN(CC=Cc2ccccc2)CC1)c1cccc2ccccc12
InChIInChI=1S/C26H29N3O3S/c1-33(31,32)29(25-15-7-13-23-12-5-6-14-24(23)25)21-26(30)28-19-17-27(18-20-28)16-8-11-22-9-3-2-4-10-22/h2-15H,16-21H2,1H3
InChIKeyPVFUVBKIASHZSU-UHFFFAOYSA-N
MW463.60 g/mol
LogP3.46
Rot. Bonds7

About N-naphthalen-1-yl-N-[2-oxo-2-[4-(3-phenylprop-2-enyl)piperazin-1-yl]ethyl]methanesulfonamide

N-naphthalen-1-yl-N-[2-oxo-2-[4-(3-phenylprop-2-enyl)piperazin-1-yl]ethyl]methanesulfonamide (PubChem CID 71950909) has the molecular formula C26H29N3O3S and a molecular weight of 463.60 g/mol. Its IUPAC name is N-naphthalen-1-yl-N-[2-oxo-2-[4-(3-phenylprop-2-enyl)piperazin-1-yl]ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-naphthalen-1-yl-N-[2-oxo-2-[4-(3-phenylprop-2-enyl)piperazin-1-yl]ethyl]methanesulfonamide
PubChem CID71950909
Molecular FormulaC26H29N3O3S
Molecular Weight463.60 g/mol
Exact Mass463.19
IUPAC NameN-naphthalen-1-yl-N-[2-oxo-2-[4-(3-phenylprop-2-enyl)piperazin-1-yl]ethyl]methanesulfonamide
SMILESCS(=O)(=O)N(CC(=O)N1CCN(CC=Cc2ccccc2)CC1)c1cccc2ccccc12
InChIInChI=1S/C26H29N3O3S/c1-33(31,32)29(25-15-7-13-23-12-5-6-14-24(23)25)21-26(30)28-19-17-27(18-20-28)16-8-11-22-9-3-2-4-10-22/h2-15H,16-21H2,1H3
InChIKeyPVFUVBKIASHZSU-UHFFFAOYSA-N
XLogP3.46
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.60
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chlorophenyl)-N-[2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethyl]methanesulfonamide
CID 99150501
1-[2-[methylsulfonyl(naphthalen-1-yl)amino]acetyl]piperidine-4-carboxamide
CID 126035425
N-cyclopropyl-N-[3-oxo-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propyl]methanesulfonamide
CID 113136310
N-ethyl-N-[2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethyl]naphthalene-2-sulfonamide
CID 45372942
2-methylsulfanyl-1-[4-(3-phenylprop-2-enyl)piperazin-1-yl]ethanone
CID 112790630
1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pentane-1,4-dione
CID 110374219
2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetic acid
CID 12051420
1-(4-acetylpiperazin-1-yl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethane-1,2-dione
CID 108984484
2-phenyl-1-[4-(3-phenylprop-2-enyl)piperazin-1-yl]ethanone
CID 2839064
N-[2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethyl]propane-1-sulfonamide
CID 112994586
3-hydroxy-1-[4-(3-phenylprop-2-enyl)piperazin-1-yl]butan-1-one
CID 71393433
N-benzyl-N-[4,5-dimethoxy-2-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]phenyl]methanesulfonamide
CID 43889390

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-1-yl-N-[2-oxo-2-[4-(3-phenylprop-2-enyl)piperazin-1-yl]ethyl]methanesulfonamide?
The IUPAC name of N-naphthalen-1-yl-N-[2-oxo-2-[4-(3-phenylprop-2-enyl)piperazin-1-yl]ethyl]methanesulfonamide (CID 71950909) is N-naphthalen-1-yl-N-[2-oxo-2-[4-(3-phenylprop-2-enyl)piperazin-1-yl]ethyl]methanesulfonamide.
What is the SMILES notation for N-naphthalen-1-yl-N-[2-oxo-2-[4-(3-phenylprop-2-enyl)piperazin-1-yl]ethyl]methanesulfonamide?
The canonical SMILES for N-naphthalen-1-yl-N-[2-oxo-2-[4-(3-phenylprop-2-enyl)piperazin-1-yl]ethyl]methanesulfonamide is CS(=O)(=O)N(CC(=O)N1CCN(CC=Cc2ccccc2)CC1)c1cccc2ccccc12.
What is the InChIKey of N-naphthalen-1-yl-N-[2-oxo-2-[4-(3-phenylprop-2-enyl)piperazin-1-yl]ethyl]methanesulfonamide?
The InChIKey is PVFUVBKIASHZSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O3S/c1-33(31,32)29(25-15-7-13-23-12-5-6-14-24(23)25)21-26(30)28-19-17-27(18-20-28)16-8-11-22-9-3-2-4-10-22/h2-15H,16-21H2,1H3.
What are the key properties of N-naphthalen-1-yl-N-[2-oxo-2-[4-(3-phenylprop-2-enyl)piperazin-1-yl]ethyl]methanesulfonamide?
N-naphthalen-1-yl-N-[2-oxo-2-[4-(3-phenylprop-2-enyl)piperazin-1-yl]ethyl]methanesulfonamide has a molecular weight of 463.60 g/mol, XLogP of 3.46, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphthalen-1-yl-N-[2-oxo-2-[4-(3-phenylprop-2-enyl)piperazin-1-yl]ethyl]methanesulfonamide is sourced from PubChem (CID 71950909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).