2-methyl-N-[4-(4-methylpiperidin-1-yl)phenyl]-5-methylsulfonylbenzamide

C21H26N2O3S — CID 9303240

IUPAC2-methyl-N-[4-(4-methylpiperidin-1-yl)phenyl]-5-methylsulfonylbenzamide
SMILESCc1ccc(S(C)(=O)=O)cc1C(=O)Nc1ccc(N2CCC(C)CC2)cc1
InChIInChI=1S/C21H26N2O3S/c1-15-10-12-23(13-11-15)18-7-5-17(6-8-18)22-21(24)20-14-19(27(3,25)26)9-4-16(20)2/h4-9,14-15H,10-13H2,1-3H3,(H,22,24)
InChIKeyNBSRVHJCGXTVAV-UHFFFAOYSA-N
MW386.52 g/mol
LogP3.89
Rot. Bonds4

About 2-methyl-N-[4-(4-methylpiperidin-1-yl)phenyl]-5-methylsulfonylbenzamide

2-methyl-N-[4-(4-methylpiperidin-1-yl)phenyl]-5-methylsulfonylbenzamide (PubChem CID 9303240) has the molecular formula C21H26N2O3S and a molecular weight of 386.52 g/mol. Its IUPAC name is 2-methyl-N-[4-(4-methylpiperidin-1-yl)phenyl]-5-methylsulfonylbenzamide.

Molecular Properties

Compound Name2-methyl-N-[4-(4-methylpiperidin-1-yl)phenyl]-5-methylsulfonylbenzamide
PubChem CID9303240
Molecular FormulaC21H26N2O3S
Molecular Weight386.52 g/mol
Exact Mass386.17
IUPAC Name2-methyl-N-[4-(4-methylpiperidin-1-yl)phenyl]-5-methylsulfonylbenzamide
SMILESCc1ccc(S(C)(=O)=O)cc1C(=O)Nc1ccc(N2CCC(C)CC2)cc1
InChIInChI=1S/C21H26N2O3S/c1-15-10-12-23(13-11-15)18-7-5-17(6-8-18)22-21(24)20-14-19(27(3,25)26)9-4-16(20)2/h4-9,14-15H,10-13H2,1-3H3,(H,22,24)
InChIKeyNBSRVHJCGXTVAV-UHFFFAOYSA-N
XLogP3.89
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.52
LogP ≤ 53.89
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

N-[4-(4-aminopiperidin-1-yl)phenyl]-2-methyl-5-methylsulfonylbenzamide
CID 166314943
5-(tert-butylsulfamoyl)-2-methyl-N-[4-(3-methylpyrrolidin-1-yl)phenyl]benzamide
CID 56556234
N-[4-(cyclopropanecarbonylamino)phenyl]-2-methyl-5-methylsulfonylbenzamide
CID 25275763
2,3-dimethyl-N-[4-(4-methylpiperidin-1-yl)phenyl]benzamide
CID 60600795
2-chloro-N-[4-(4-methylpiperidin-1-yl)phenyl]-5-pyrrolidin-1-ylsulfonylbenzamide
CID 55389012
2-methyl-5-methylsulfonyl-N-[4-(1,2,4-triazol-4-yl)phenyl]benzamide
CID 166181364
2-chloro-N-[4-(4-methylpiperidin-1-yl)phenyl]-5-piperidin-1-ylsulfonylbenzamide
CID 46387444
2,5-dimethyl-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]benzamide
CID 9492798
N-(3-chloro-4-methylphenyl)-2-methyl-5-methylsulfonylbenzamide
CID 26087165
N-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-2-methyl-5-(methylsulfamoyl)benzamide
CID 49202639
2-chloro-4-methyl-N-[4-(4-methylpiperidin-1-yl)phenyl]benzamide
CID 21229733
2-methyl-N-(4-morpholin-4-ylphenyl)-5-piperidin-1-ylsulfonylbenzamide
CID 2111262

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[4-(4-methylpiperidin-1-yl)phenyl]-5-methylsulfonylbenzamide?
The IUPAC name of 2-methyl-N-[4-(4-methylpiperidin-1-yl)phenyl]-5-methylsulfonylbenzamide (CID 9303240) is 2-methyl-N-[4-(4-methylpiperidin-1-yl)phenyl]-5-methylsulfonylbenzamide.
What is the SMILES notation for 2-methyl-N-[4-(4-methylpiperidin-1-yl)phenyl]-5-methylsulfonylbenzamide?
The canonical SMILES for 2-methyl-N-[4-(4-methylpiperidin-1-yl)phenyl]-5-methylsulfonylbenzamide is Cc1ccc(S(C)(=O)=O)cc1C(=O)Nc1ccc(N2CCC(C)CC2)cc1.
What is the InChIKey of 2-methyl-N-[4-(4-methylpiperidin-1-yl)phenyl]-5-methylsulfonylbenzamide?
The InChIKey is NBSRVHJCGXTVAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3S/c1-15-10-12-23(13-11-15)18-7-5-17(6-8-18)22-21(24)20-14-19(27(3,25)26)9-4-16(20)2/h4-9,14-15H,10-13H2,1-3H3,(H,22,24).
What are the key properties of 2-methyl-N-[4-(4-methylpiperidin-1-yl)phenyl]-5-methylsulfonylbenzamide?
2-methyl-N-[4-(4-methylpiperidin-1-yl)phenyl]-5-methylsulfonylbenzamide has a molecular weight of 386.52 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[4-(4-methylpiperidin-1-yl)phenyl]-5-methylsulfonylbenzamide is sourced from PubChem (CID 9303240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).