N-ethyl-N-[2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethyl]naphthalene-2-sulfonamide

C27H31N3O3S — CID 45372942

IUPACN-ethyl-N-[2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethyl]naphthalene-2-sulfonamide
SMILESCCN(CC(=O)N1CCN(C/C=C/c2ccccc2)CC1)S(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C27H31N3O3S/c1-2-30(34(32,33)26-15-14-24-12-6-7-13-25(24)21-26)22-27(31)29-19-17-28(18-20-29)16-8-11-23-9-4-3-5-10-23/h3-15,21H,2,16-20,22H2,1H3/b11-8+
InChIKeyRRLIIRKJSAXOGN-DHZHZOJOSA-N
MW477.63 g/mol
LogP3.71
Rot. Bonds8

About N-ethyl-N-[2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethyl]naphthalene-2-sulfonamide

N-ethyl-N-[2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethyl]naphthalene-2-sulfonamide (PubChem CID 45372942) has the molecular formula C27H31N3O3S and a molecular weight of 477.63 g/mol. Its IUPAC name is N-ethyl-N-[2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethyl]naphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-ethyl-N-[2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethyl]naphthalene-2-sulfonamide
PubChem CID45372942
Molecular FormulaC27H31N3O3S
Molecular Weight477.63 g/mol
Exact Mass477.21
IUPAC NameN-ethyl-N-[2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethyl]naphthalene-2-sulfonamide
SMILESCCN(CC(=O)N1CCN(C/C=C/c2ccccc2)CC1)S(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C27H31N3O3S/c1-2-30(34(32,33)26-15-14-24-12-6-7-13-25(24)21-26)22-27(31)29-19-17-28(18-20-29)16-8-11-23-9-4-3-5-10-23/h3-15,21H,2,16-20,22H2,1H3/b11-8+
InChIKeyRRLIIRKJSAXOGN-DHZHZOJOSA-N
XLogP3.71
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.63
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-ethoxy-N-methyl-N-[2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethyl]benzenesulfonamide
CID 19798438
naphthalen-2-yl-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone
CID 3958448
(2S)-2-naphthalen-2-yloxy-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]butan-1-one
CID 92676495
N-naphthalen-1-yl-N-[2-oxo-2-[4-(3-phenylprop-2-enyl)piperazin-1-yl]ethyl]methanesulfonamide
CID 71950909
N-ethyl-N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-4-methoxybenzenesulfonamide
CID 45372155
N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-4-chloro-N-ethylbenzenesulfonamide
CID 2970012
N,N-dimethyl-4-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]benzenesulfonamide
CID 2422630
2-phenyl-1-[4-(3-phenylprop-2-enyl)piperazin-1-yl]ethanone
CID 2839064
2-methylsulfanyl-1-[4-(3-phenylprop-2-enyl)piperazin-1-yl]ethanone
CID 112790630
N-[2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethyl]propane-1-sulfonamide
CID 112994586
1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pentane-1,4-dione
CID 110374219
N-(3-chlorophenyl)-N-[2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethyl]methanesulfonamide
CID 99150501

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethyl]naphthalene-2-sulfonamide?
The IUPAC name of N-ethyl-N-[2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethyl]naphthalene-2-sulfonamide (CID 45372942) is N-ethyl-N-[2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethyl]naphthalene-2-sulfonamide.
What is the SMILES notation for N-ethyl-N-[2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethyl]naphthalene-2-sulfonamide?
The canonical SMILES for N-ethyl-N-[2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethyl]naphthalene-2-sulfonamide is CCN(CC(=O)N1CCN(C/C=C/c2ccccc2)CC1)S(=O)(=O)c1ccc2ccccc2c1.
What is the InChIKey of N-ethyl-N-[2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethyl]naphthalene-2-sulfonamide?
The InChIKey is RRLIIRKJSAXOGN-DHZHZOJOSA-N. The full InChI is InChI=1S/C27H31N3O3S/c1-2-30(34(32,33)26-15-14-24-12-6-7-13-25(24)21-26)22-27(31)29-19-17-28(18-20-29)16-8-11-23-9-4-3-5-10-23/h3-15,21H,2,16-20,22H2,1H3/b11-8+.
What are the key properties of N-ethyl-N-[2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethyl]naphthalene-2-sulfonamide?
N-ethyl-N-[2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethyl]naphthalene-2-sulfonamide has a molecular weight of 477.63 g/mol, XLogP of 3.71, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethyl]naphthalene-2-sulfonamide is sourced from PubChem (CID 45372942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).