N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylethyl]naphthalene-1-carboxamide

C24H27N3O4S — CID 22578896

IUPACN-[2-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylethyl]naphthalene-1-carboxamide
SMILESCOc1ccccc1N1CCN(S(=O)(=O)CCNC(=O)c2cccc3ccccc23)CC1
InChIInChI=1S/C24H27N3O4S/c1-31-23-12-5-4-11-22(23)26-14-16-27(17-15-26)32(29,30)18-13-25-24(28)21-10-6-8-19-7-2-3-9-20(19)21/h2-12H,13-18H2,1H3,(H,25,28)
InChIKeyLCTZYUWUTAEBIF-UHFFFAOYSA-N
MW453.56 g/mol
LogP2.73
Rot. Bonds7

About N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylethyl]naphthalene-1-carboxamide

N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylethyl]naphthalene-1-carboxamide (PubChem CID 22578896) has the molecular formula C24H27N3O4S and a molecular weight of 453.56 g/mol. Its IUPAC name is N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylethyl]naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylethyl]naphthalene-1-carboxamide
PubChem CID22578896
Molecular FormulaC24H27N3O4S
Molecular Weight453.56 g/mol
Exact Mass453.17
IUPAC NameN-[2-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylethyl]naphthalene-1-carboxamide
SMILESCOc1ccccc1N1CCN(S(=O)(=O)CCNC(=O)c2cccc3ccccc23)CC1
InChIInChI=1S/C24H27N3O4S/c1-31-23-12-5-4-11-22(23)26-14-16-27(17-15-26)32(29,30)18-13-25-24(28)21-10-6-8-19-7-2-3-9-20(19)21/h2-12H,13-18H2,1H3,(H,25,28)
InChIKeyLCTZYUWUTAEBIF-UHFFFAOYSA-N
XLogP2.73
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.56
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylethyl]-1-benzofuran-2-carboxamide
CID 16825869
N-[2-[4-(4-chlorophenyl)piperazin-1-yl]sulfonylethyl]naphthalene-1-carboxamide
CID 41349937
5-bromo-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylethyl]furan-2-carboxamide
CID 22578905
N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylethyl]-3-(trifluoromethyl)benzamide
CID 22578894
2-methoxy-N-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonylethyl]benzamide
CID 41349582
2-ethoxy-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylethyl]benzamide
CID 16812488
N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylethyl]adamantane-1-carboxamide
CID 24790968
2,3-dimethoxy-N-[2-[4-(2-phenylethyl)piperazin-1-yl]sulfonylethyl]benzamide
CID 16881215
2,3-dimethoxy-N-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]benzamide
CID 42438465
N-[2-(4-methylsulfonylpiperazin-1-yl)phenyl]naphthalene-1-carboxamide
CID 979888
N-[2-[4-(2-chlorophenyl)piperazin-1-yl]sulfonylethyl]-2-naphthalen-1-ylacetamide
CID 41349801
N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]sulfonylethyl]naphthalene-1-carboxamide
CID 16820026

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylethyl]naphthalene-1-carboxamide?
The IUPAC name of N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylethyl]naphthalene-1-carboxamide (CID 22578896) is N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylethyl]naphthalene-1-carboxamide.
What is the SMILES notation for N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylethyl]naphthalene-1-carboxamide?
The canonical SMILES for N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylethyl]naphthalene-1-carboxamide is COc1ccccc1N1CCN(S(=O)(=O)CCNC(=O)c2cccc3ccccc23)CC1.
What is the InChIKey of N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylethyl]naphthalene-1-carboxamide?
The InChIKey is LCTZYUWUTAEBIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O4S/c1-31-23-12-5-4-11-22(23)26-14-16-27(17-15-26)32(29,30)18-13-25-24(28)21-10-6-8-19-7-2-3-9-20(19)21/h2-12H,13-18H2,1H3,(H,25,28).
What are the key properties of N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylethyl]naphthalene-1-carboxamide?
N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylethyl]naphthalene-1-carboxamide has a molecular weight of 453.56 g/mol, XLogP of 2.73, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylethyl]naphthalene-1-carboxamide is sourced from PubChem (CID 22578896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).