N-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]naphthalene-1-carboxamide

C22H23N3O3S — CID 1048483

IUPACN-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]naphthalene-1-carboxamide
SMILESCS(=O)(=O)N1CCN(c2ccc(NC(=O)c3cccc4ccccc34)cc2)CC1
InChIInChI=1S/C22H23N3O3S/c1-29(27,28)25-15-13-24(14-16-25)19-11-9-18(10-12-19)23-22(26)21-8-4-6-17-5-2-3-7-20(17)21/h2-12H,13-16H2,1H3,(H,23,26)
InChIKeySSMNHDJEVVWMQT-UHFFFAOYSA-N
MW409.51 g/mol
LogP3.17
Rot. Bonds4

About N-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]naphthalene-1-carboxamide

N-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]naphthalene-1-carboxamide (PubChem CID 1048483) has the molecular formula C22H23N3O3S and a molecular weight of 409.51 g/mol. Its IUPAC name is N-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]naphthalene-1-carboxamide
PubChem CID1048483
Molecular FormulaC22H23N3O3S
Molecular Weight409.51 g/mol
Exact Mass409.15
IUPAC NameN-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]naphthalene-1-carboxamide
SMILESCS(=O)(=O)N1CCN(c2ccc(NC(=O)c3cccc4ccccc34)cc2)CC1
InChIInChI=1S/C22H23N3O3S/c1-29(27,28)25-15-13-24(14-16-25)19-11-9-18(10-12-19)23-22(26)21-8-4-6-17-5-2-3-7-20(17)21/h2-12H,13-16H2,1H3,(H,23,26)
InChIKeySSMNHDJEVVWMQT-UHFFFAOYSA-N
XLogP3.17
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.51
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

5-chloro-N-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]naphthalene-1-carboxamide
CID 3266339
2-fluoro-N-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]benzamide
CID 1087170
N-[4-(4-ethylpiperazin-1-yl)phenyl]naphthalene-1-carboxamide
CID 7342466
N-[2-(4-methylsulfonylpiperazin-1-yl)phenyl]naphthalene-1-carboxamide
CID 979888
N-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]-4-phenylbenzamide
CID 1087164
3-bromo-N-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]benzamide
CID 1421697
2-chloro-N-[3-(4-methylsulfonylpiperazin-1-yl)phenyl]benzamide
CID 110362862
2-chloro-N-[[4-(4-methylsulfonylpiperazin-1-yl)phenyl]carbamothioyl]benzamide
CID 3656658
5-bromo-2-methoxy-3-methyl-N-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]benzamide
CID 1299265
2-chloro-4-methyl-N-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]benzamide
CID 1396003
N-[2-[4-(4-chlorophenyl)piperazin-1-yl]sulfonylethyl]naphthalene-1-carboxamide
CID 41349937
5-chloro-N-[4-(4-ethylpiperazin-1-yl)phenyl]naphthalene-1-carboxamide
CID 2949855

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]naphthalene-1-carboxamide?
The IUPAC name of N-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]naphthalene-1-carboxamide (CID 1048483) is N-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]naphthalene-1-carboxamide.
What is the SMILES notation for N-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]naphthalene-1-carboxamide?
The canonical SMILES for N-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]naphthalene-1-carboxamide is CS(=O)(=O)N1CCN(c2ccc(NC(=O)c3cccc4ccccc34)cc2)CC1.
What is the InChIKey of N-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]naphthalene-1-carboxamide?
The InChIKey is SSMNHDJEVVWMQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3S/c1-29(27,28)25-15-13-24(14-16-25)19-11-9-18(10-12-19)23-22(26)21-8-4-6-17-5-2-3-7-20(17)21/h2-12H,13-16H2,1H3,(H,23,26).
What are the key properties of N-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]naphthalene-1-carboxamide?
N-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]naphthalene-1-carboxamide has a molecular weight of 409.51 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]naphthalene-1-carboxamide is sourced from PubChem (CID 1048483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).