N-[2-(4-methylsulfonylpiperazin-1-yl)phenyl]naphthalene-1-carboxamide

C22H23N3O3S — CID 979888

IUPACN-[2-(4-methylsulfonylpiperazin-1-yl)phenyl]naphthalene-1-carboxamide
SMILESCS(=O)(=O)N1CCN(c2ccccc2NC(=O)c2cccc3ccccc23)CC1
InChIInChI=1S/C22H23N3O3S/c1-29(27,28)25-15-13-24(14-16-25)21-12-5-4-11-20(21)23-22(26)19-10-6-8-17-7-2-3-9-18(17)19/h2-12H,13-16H2,1H3,(H,23,26)
InChIKeyMDKZURGZQQOBGZ-UHFFFAOYSA-N
MW409.51 g/mol
LogP3.17
Rot. Bonds4

About N-[2-(4-methylsulfonylpiperazin-1-yl)phenyl]naphthalene-1-carboxamide

N-[2-(4-methylsulfonylpiperazin-1-yl)phenyl]naphthalene-1-carboxamide (PubChem CID 979888) has the molecular formula C22H23N3O3S and a molecular weight of 409.51 g/mol. Its IUPAC name is N-[2-(4-methylsulfonylpiperazin-1-yl)phenyl]naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methylsulfonylpiperazin-1-yl)phenyl]naphthalene-1-carboxamide
PubChem CID979888
Molecular FormulaC22H23N3O3S
Molecular Weight409.51 g/mol
Exact Mass409.15
IUPAC NameN-[2-(4-methylsulfonylpiperazin-1-yl)phenyl]naphthalene-1-carboxamide
SMILESCS(=O)(=O)N1CCN(c2ccccc2NC(=O)c2cccc3ccccc23)CC1
InChIInChI=1S/C22H23N3O3S/c1-29(27,28)25-15-13-24(14-16-25)21-12-5-4-11-20(21)23-22(26)19-10-6-8-17-7-2-3-9-18(17)19/h2-12H,13-16H2,1H3,(H,23,26)
InChIKeyMDKZURGZQQOBGZ-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

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Related Compounds

N-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]naphthalene-1-carboxamide
CID 1048483
2-chloro-N-[2-(4-methylsulfonylpiperazin-1-yl)phenyl]acetamide
CID 8559994
3-ethoxy-N-[2-(4-methylsulfonylpiperazin-1-yl)phenyl]benzamide
CID 3557458
N-[5-amino-2-(4-ethylpiperazin-1-yl)phenyl]naphthalene-1-carboxamide
CID 91675791
N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylethyl]naphthalene-1-carboxamide
CID 22578896
N-(5-amino-2-pyrrolidin-1-ylphenyl)naphthalene-1-carboxamide
CID 91675506
N-[(2-pyrrolidin-1-ylphenyl)carbamothioyl]naphthalene-1-carboxamide
CID 1306047
N-[[2-(4-methylsulfonylpiperazin-1-yl)phenyl]carbamothioyl]butanamide
CID 3655401
N-[2-(4-methylsulfonylpiperazin-1-yl)phenyl]-3-nitrobenzamide
CID 4655333
N-methyl-2-(4-methylsulfonylpiperazin-1-yl)aniline
CID 71142174
N-[[2-(4-propanoylpiperazin-1-yl)phenyl]carbamothioyl]naphthalene-1-carboxamide
CID 17110097
2-amino-3-(4-methylsulfonylpiperazin-1-yl)benzoic acid
CID 115546018

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylsulfonylpiperazin-1-yl)phenyl]naphthalene-1-carboxamide?
The IUPAC name of N-[2-(4-methylsulfonylpiperazin-1-yl)phenyl]naphthalene-1-carboxamide (CID 979888) is N-[2-(4-methylsulfonylpiperazin-1-yl)phenyl]naphthalene-1-carboxamide.
What is the SMILES notation for N-[2-(4-methylsulfonylpiperazin-1-yl)phenyl]naphthalene-1-carboxamide?
The canonical SMILES for N-[2-(4-methylsulfonylpiperazin-1-yl)phenyl]naphthalene-1-carboxamide is CS(=O)(=O)N1CCN(c2ccccc2NC(=O)c2cccc3ccccc23)CC1.
What is the InChIKey of N-[2-(4-methylsulfonylpiperazin-1-yl)phenyl]naphthalene-1-carboxamide?
The InChIKey is MDKZURGZQQOBGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3S/c1-29(27,28)25-15-13-24(14-16-25)21-12-5-4-11-20(21)23-22(26)19-10-6-8-17-7-2-3-9-18(17)19/h2-12H,13-16H2,1H3,(H,23,26).
What are the key properties of N-[2-(4-methylsulfonylpiperazin-1-yl)phenyl]naphthalene-1-carboxamide?
N-[2-(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-[2-(4-methylsulfonylpiperazin-1-yl)phenyl]naphthalene-1-carboxamide is sourced from PubChem (CID 979888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).