N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-4-[(3-methylpiperidin-1-yl)methyl]benzamide

C26H35N3O4S — CID 46769837

IUPACN-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-4-[(3-methylpiperidin-1-yl)methyl]benzamide
SMILESCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1ccc(CN2CCCC(C)C2)cc1
InChIInChI=1S/C26H35N3O4S/c1-20-7-6-14-28(18-20)19-21-8-10-22(11-9-21)26(30)27-24-17-23(12-13-25(24)33-2)34(31,32)29-15-4-3-5-16-29/h8-13,17,20H,3-7,14-16,18-19H2,1-2H3,(H,27,30)
InChIKeyICGZOAPXGRRTAK-UHFFFAOYSA-N
MW485.65 g/mol
LogP4.35
Rot. Bonds7

About N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-4-[(3-methylpiperidin-1-yl)methyl]benzamide

N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-4-[(3-methylpiperidin-1-yl)methyl]benzamide (PubChem CID 46769837) has the molecular formula C26H35N3O4S and a molecular weight of 485.65 g/mol. Its IUPAC name is N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-4-[(3-methylpiperidin-1-yl)methyl]benzamide.

Molecular Properties

Compound NameN-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-4-[(3-methylpiperidin-1-yl)methyl]benzamide
PubChem CID46769837
Molecular FormulaC26H35N3O4S
Molecular Weight485.65 g/mol
Exact Mass485.23
IUPAC NameN-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-4-[(3-methylpiperidin-1-yl)methyl]benzamide
SMILESCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1ccc(CN2CCCC(C)C2)cc1
InChIInChI=1S/C26H35N3O4S/c1-20-7-6-14-28(18-20)19-21-8-10-22(11-9-21)26(30)27-24-17-23(12-13-25(24)33-2)34(31,32)29-15-4-3-5-16-29/h8-13,17,20H,3-7,14-16,18-19H2,1-2H3,(H,27,30)
InChIKeyICGZOAPXGRRTAK-UHFFFAOYSA-N
XLogP4.35
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.65
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-chloro-2,5-dimethoxyphenyl)-4-[[(3R)-3-methylpiperidin-1-yl]methyl]benzamide
CID 38101127
4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 92679944
N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 92682610
N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]-3-piperidin-1-ylsulfonylbenzamide
CID 55715197
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)benzamide
CID 100585854
N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-3,5-dichlorobenzamide
CID 26206912
N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]-4-(piperidin-1-ylmethyl)benzamide
CID 28636465
N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-4-propan-2-ylbenzamide
CID 26065836
N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-4-(dimethylsulfamoyl)benzamide
CID 3963997
N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]-4-(pyrrolidin-1-ylmethyl)benzamide
CID 28579384
2-(2-methoxy-5-piperidin-1-ylsulfonylanilino)-1-(3-methylpiperidin-1-yl)ethanone
CID 42975014
3,4,5-trimethoxy-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 99952849

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-4-[(3-methylpiperidin-1-yl)methyl]benzamide?
The IUPAC name of N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-4-[(3-methylpiperidin-1-yl)methyl]benzamide (CID 46769837) is N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-4-[(3-methylpiperidin-1-yl)methyl]benzamide.
What is the SMILES notation for N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-4-[(3-methylpiperidin-1-yl)methyl]benzamide?
The canonical SMILES for N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-4-[(3-methylpiperidin-1-yl)methyl]benzamide is COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1ccc(CN2CCCC(C)C2)cc1.
What is the InChIKey of N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-4-[(3-methylpiperidin-1-yl)methyl]benzamide?
The InChIKey is ICGZOAPXGRRTAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N3O4S/c1-20-7-6-14-28(18-20)19-21-8-10-22(11-9-21)26(30)27-24-17-23(12-13-25(24)33-2)34(31,32)29-15-4-3-5-16-29/h8-13,17,20H,3-7,14-16,18-19H2,1-2H3,(H,27,30).
What are the key properties of N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-4-[(3-methylpiperidin-1-yl)methyl]benzamide?
N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-4-[(3-methylpiperidin-1-yl)methyl]benzamide has a molecular weight of 485.65 g/mol, XLogP of 4.35, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-4-[(3-methylpiperidin-1-yl)methyl]benzamide is sourced from PubChem (CID 46769837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).