2-methoxy-N-[(4-methylphenyl)methyl]-5-(4-methylpiperidin-1-yl)sulfonylbenzamide

C22H28N2O4S — CID 28591213

IUPAC2-methoxy-N-[(4-methylphenyl)methyl]-5-(4-methylpiperidin-1-yl)sulfonylbenzamide
SMILESCOc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1C(=O)NCc1ccc(C)cc1
InChIInChI=1S/C22H28N2O4S/c1-16-4-6-18(7-5-16)15-23-22(25)20-14-19(8-9-21(20)28-3)29(26,27)24-12-10-17(2)11-13-24/h4-9,14,17H,10-13,15H2,1-3H3,(H,23,25)
InChIKeyKIHHWAGJMLYMCI-UHFFFAOYSA-N
MW416.54 g/mol
LogP3.35
Rot. Bonds6

About 2-methoxy-N-[(4-methylphenyl)methyl]-5-(4-methylpiperidin-1-yl)sulfonylbenzamide

2-methoxy-N-[(4-methylphenyl)methyl]-5-(4-methylpiperidin-1-yl)sulfonylbenzamide (PubChem CID 28591213) has the molecular formula C22H28N2O4S and a molecular weight of 416.54 g/mol. Its IUPAC name is 2-methoxy-N-[(4-methylphenyl)methyl]-5-(4-methylpiperidin-1-yl)sulfonylbenzamide.

Molecular Properties

Compound Name2-methoxy-N-[(4-methylphenyl)methyl]-5-(4-methylpiperidin-1-yl)sulfonylbenzamide
PubChem CID28591213
Molecular FormulaC22H28N2O4S
Molecular Weight416.54 g/mol
Exact Mass416.18
IUPAC Name2-methoxy-N-[(4-methylphenyl)methyl]-5-(4-methylpiperidin-1-yl)sulfonylbenzamide
SMILESCOc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1C(=O)NCc1ccc(C)cc1
InChIInChI=1S/C22H28N2O4S/c1-16-4-6-18(7-5-16)15-23-22(25)20-14-19(8-9-21(20)28-3)29(26,27)24-12-10-17(2)11-13-24/h4-9,14,17H,10-13,15H2,1-3H3,(H,23,25)
InChIKeyKIHHWAGJMLYMCI-UHFFFAOYSA-N
XLogP3.35
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.54
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-[(4-methylphenyl)methyl]-5-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 28591343
5-(azepan-1-ylsulfonyl)-2-methoxy-N-(pyridin-4-ylmethyl)benzamide
CID 28591138
N-cycloheptyl-2-methoxy-5-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 28591241
2-methyl-5-(4-methylpiperidin-1-yl)sulfonyl-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]benzamide
CID 46767783
2-methoxy-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]-5-pyrrolidin-1-ylsulfonylbenzamide
CID 92673076
2-methoxy-N-[(2-methylphenyl)methyl]-5-pyrrolidin-1-ylsulfonylbenzamide
CID 28590884
2-methoxy-5-(4-methylpiperidin-1-yl)sulfonyl-N-[2-(trifluoromethyl)phenyl]benzamide
CID 28591225
2-methoxy-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]-5-piperidin-1-ylsulfonylbenzamide
CID 28590998
2-methyl-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]-5-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 43909877
N-[(3,4-dimethoxyphenyl)methyl]-2-methyl-5-morpholin-4-ylsulfonylbenzamide
CID 2478492
2-methoxy-5-nitro-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]benzamide
CID 25498860
N-[(4-fluorophenyl)methyl]-1-(4-methoxy-3-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 28549809

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[(4-methylphenyl)methyl]-5-(4-methylpiperidin-1-yl)sulfonylbenzamide?
The IUPAC name of 2-methoxy-N-[(4-methylphenyl)methyl]-5-(4-methylpiperidin-1-yl)sulfonylbenzamide (CID 28591213) is 2-methoxy-N-[(4-methylphenyl)methyl]-5-(4-methylpiperidin-1-yl)sulfonylbenzamide.
What is the SMILES notation for 2-methoxy-N-[(4-methylphenyl)methyl]-5-(4-methylpiperidin-1-yl)sulfonylbenzamide?
The canonical SMILES for 2-methoxy-N-[(4-methylphenyl)methyl]-5-(4-methylpiperidin-1-yl)sulfonylbenzamide is COc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1C(=O)NCc1ccc(C)cc1.
What is the InChIKey of 2-methoxy-N-[(4-methylphenyl)methyl]-5-(4-methylpiperidin-1-yl)sulfonylbenzamide?
The InChIKey is KIHHWAGJMLYMCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O4S/c1-16-4-6-18(7-5-16)15-23-22(25)20-14-19(8-9-21(20)28-3)29(26,27)24-12-10-17(2)11-13-24/h4-9,14,17H,10-13,15H2,1-3H3,(H,23,25).
What are the key properties of 2-methoxy-N-[(4-methylphenyl)methyl]-5-(4-methylpiperidin-1-yl)sulfonylbenzamide?
2-methoxy-N-[(4-methylphenyl)methyl]-5-(4-methylpiperidin-1-yl)sulfonylbenzamide has a molecular weight of 416.54 g/mol, XLogP of 3.35, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[(4-methylphenyl)methyl]-5-(4-methylpiperidin-1-yl)sulfonylbenzamide is sourced from PubChem (CID 28591213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).