N-[(2-methylphenyl)methyl]-4-(2-methylpiperidin-1-yl)sulfonylaniline

C20H26N2O2S — CID 110827326

IUPACN-[(2-methylphenyl)methyl]-4-(2-methylpiperidin-1-yl)sulfonylaniline
SMILESCc1ccccc1CNc1ccc(S(=O)(=O)N2CCCCC2C)cc1
InChIInChI=1S/C20H26N2O2S/c1-16-7-3-4-9-18(16)15-21-19-10-12-20(13-11-19)25(23,24)22-14-6-5-8-17(22)2/h3-4,7,9-13,17,21H,5-6,8,14-15H2,1-2H3
InChIKeyKOWYXGZLTJPOPG-UHFFFAOYSA-N
MW358.51 g/mol
LogP4.17
Rot. Bonds5

About N-[(2-methylphenyl)methyl]-4-(2-methylpiperidin-1-yl)sulfonylaniline

N-[(2-methylphenyl)methyl]-4-(2-methylpiperidin-1-yl)sulfonylaniline (PubChem CID 110827326) has the molecular formula C20H26N2O2S and a molecular weight of 358.51 g/mol. Its IUPAC name is N-[(2-methylphenyl)methyl]-4-(2-methylpiperidin-1-yl)sulfonylaniline.

Molecular Properties

Compound NameN-[(2-methylphenyl)methyl]-4-(2-methylpiperidin-1-yl)sulfonylaniline
PubChem CID110827326
Molecular FormulaC20H26N2O2S
Molecular Weight358.51 g/mol
Exact Mass358.17
IUPAC NameN-[(2-methylphenyl)methyl]-4-(2-methylpiperidin-1-yl)sulfonylaniline
SMILESCc1ccccc1CNc1ccc(S(=O)(=O)N2CCCCC2C)cc1
InChIInChI=1S/C20H26N2O2S/c1-16-7-3-4-9-18(16)15-21-19-10-12-20(13-11-19)25(23,24)22-14-6-5-8-17(22)2/h3-4,7,9-13,17,21H,5-6,8,14-15H2,1-2H3
InChIKeyKOWYXGZLTJPOPG-UHFFFAOYSA-N
XLogP4.17
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.51
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methylphenyl)-3-[4-[(2S)-2-methylpiperidin-1-yl]sulfonylphenyl]urea
CID 27521233
N-heptyl-4-(2-methylpiperidin-1-yl)sulfonylaniline
CID 110826925
3-[4-(2-methylpiperidin-1-yl)sulfonylanilino]propane-1,2-diol
CID 168595112
(2S)-2-methyl-1-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylpiperidine
CID 1168281
2,3,5,6-tetramethyl-N-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]benzenesulfonamide
CID 17301180
1-(4-methylphenyl)-3-[4-[(2S)-2-methylpiperidin-1-yl]sulfonylphenyl]thiourea
CID 27522605
(2S)-1-(4-chlorophenyl)sulfonyl-2-methylpiperidine
CID 668791
N-[[2-[(dimethylamino)methyl]phenyl]methyl]-4-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 55395914
N-benzyl-N-methyl-4-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzenesulfonamide
CID 1168554
1-(1-benzofuran-2-yl)-2-[4-(2-methylpiperidin-1-yl)sulfonylanilino]ethanone
CID 110828563
2-methyl-5-[(2R)-2-methylpiperidin-1-yl]sulfonyl-N-[2-(2-methylpropanoylamino)ethyl]benzamide
CID 35518524
2-(6,7-dimethyl-1-benzofuran-3-yl)-N-[4-[(2S)-2-methylpiperidin-1-yl]sulfonylphenyl]acetamide
CID 40775798

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylphenyl)methyl]-4-(2-methylpiperidin-1-yl)sulfonylaniline?
The IUPAC name of N-[(2-methylphenyl)methyl]-4-(2-methylpiperidin-1-yl)sulfonylaniline (CID 110827326) is N-[(2-methylphenyl)methyl]-4-(2-methylpiperidin-1-yl)sulfonylaniline.
What is the SMILES notation for N-[(2-methylphenyl)methyl]-4-(2-methylpiperidin-1-yl)sulfonylaniline?
The canonical SMILES for N-[(2-methylphenyl)methyl]-4-(2-methylpiperidin-1-yl)sulfonylaniline is Cc1ccccc1CNc1ccc(S(=O)(=O)N2CCCCC2C)cc1.
What is the InChIKey of N-[(2-methylphenyl)methyl]-4-(2-methylpiperidin-1-yl)sulfonylaniline?
The InChIKey is KOWYXGZLTJPOPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2S/c1-16-7-3-4-9-18(16)15-21-19-10-12-20(13-11-19)25(23,24)22-14-6-5-8-17(22)2/h3-4,7,9-13,17,21H,5-6,8,14-15H2,1-2H3.
What are the key properties of N-[(2-methylphenyl)methyl]-4-(2-methylpiperidin-1-yl)sulfonylaniline?
N-[(2-methylphenyl)methyl]-4-(2-methylpiperidin-1-yl)sulfonylaniline has a molecular weight of 358.51 g/mol, XLogP of 4.17, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylphenyl)methyl]-4-(2-methylpiperidin-1-yl)sulfonylaniline is sourced from PubChem (CID 110827326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).