N-[2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]naphthalene-2-carboxamide

C23H22FN3O4S — CID 16573386

IUPACN-[2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]naphthalene-2-carboxamide
SMILESO=C(NCC(=O)N1CCN(S(=O)(=O)c2ccccc2F)CC1)c1ccc2ccccc2c1
InChIInChI=1S/C23H22FN3O4S/c24-20-7-3-4-8-21(20)32(30,31)27-13-11-26(12-14-27)22(28)16-25-23(29)19-10-9-17-5-1-2-6-18(17)15-19/h1-10,15H,11-14,16H2,(H,25,29)
InChIKeyQARDXDLMTROPNU-UHFFFAOYSA-N
MW455.51 g/mol
LogP2.24
Rot. Bonds5

About N-[2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]naphthalene-2-carboxamide

N-[2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]naphthalene-2-carboxamide (PubChem CID 16573386) has the molecular formula C23H22FN3O4S and a molecular weight of 455.51 g/mol. Its IUPAC name is N-[2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]naphthalene-2-carboxamide
PubChem CID16573386
Molecular FormulaC23H22FN3O4S
Molecular Weight455.51 g/mol
Exact Mass455.13
IUPAC NameN-[2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]naphthalene-2-carboxamide
SMILESO=C(NCC(=O)N1CCN(S(=O)(=O)c2ccccc2F)CC1)c1ccc2ccccc2c1
InChIInChI=1S/C23H22FN3O4S/c24-20-7-3-4-8-21(20)32(30,31)27-13-11-26(12-14-27)22(28)16-25-23(29)19-10-9-17-5-1-2-6-18(17)15-19/h1-10,15H,11-14,16H2,(H,25,29)
InChIKeyQARDXDLMTROPNU-UHFFFAOYSA-N
XLogP2.24
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.51
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-tert-butyl-N-[2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]benzamide
CID 26870631
N-[2-oxo-2-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-yl]ethyl]naphthalene-2-carboxamide
CID 24543794
N-(2-oxo-2-piperidin-1-ylethyl)naphthalene-2-carboxamide
CID 24539686
N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]naphthalene-2-carboxamide
CID 27671411
N-[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl]-2-fluorobenzamide
CID 27510219
N-[3-oxo-3-(4-pyridin-3-ylsulfonylpiperazin-1-yl)propyl]naphthalene-2-carboxamide
CID 55614190
1-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-4-(4-methoxyphenoxy)butan-1-one
CID 18777532
N-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]naphthalene-2-carboxamide
CID 25398392
N-[2-[4-(2-methoxy-4,5-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]benzamide
CID 108567929
methyl 2-[2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]sulfanylacetate
CID 18201955
2-(4-bromophenyl)sulfanyl-1-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]ethanone
CID 4816176
tert-butyl N-[3-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-3-oxopropyl]carbamate
CID 9046993

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]naphthalene-2-carboxamide?
The IUPAC name of N-[2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]naphthalene-2-carboxamide (CID 16573386) is N-[2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]naphthalene-2-carboxamide.
What is the SMILES notation for N-[2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]naphthalene-2-carboxamide?
The canonical SMILES for N-[2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]naphthalene-2-carboxamide is O=C(NCC(=O)N1CCN(S(=O)(=O)c2ccccc2F)CC1)c1ccc2ccccc2c1.
What is the InChIKey of N-[2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]naphthalene-2-carboxamide?
The InChIKey is QARDXDLMTROPNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN3O4S/c24-20-7-3-4-8-21(20)32(30,31)27-13-11-26(12-14-27)22(28)16-25-23(29)19-10-9-17-5-1-2-6-18(17)15-19/h1-10,15H,11-14,16H2,(H,25,29).
What are the key properties of N-[2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]naphthalene-2-carboxamide?
N-[2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]naphthalene-2-carboxamide has a molecular weight of 455.51 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]naphthalene-2-carboxamide is sourced from PubChem (CID 16573386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).