N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]-4-(piperidin-1-ylmethyl)benzamide

C23H31N3O4S — CID 28636465

IUPACN-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]-4-(piperidin-1-ylmethyl)benzamide
SMILESCOc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)c1ccc(CN2CCCCC2)cc1
InChIInChI=1S/C23H31N3O4S/c1-17(2)25-31(28,29)20-11-12-22(30-3)21(15-20)24-23(27)19-9-7-18(8-10-19)16-26-13-5-4-6-14-26/h7-12,15,17,25H,4-6,13-14,16H2,1-3H3,(H,24,27)
InChIKeyHDOQJGDWMQCWLE-UHFFFAOYSA-N
MW445.59 g/mol
LogP3.62
Rot. Bonds8

About N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]-4-(piperidin-1-ylmethyl)benzamide

N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]-4-(piperidin-1-ylmethyl)benzamide (PubChem CID 28636465) has the molecular formula C23H31N3O4S and a molecular weight of 445.59 g/mol. Its IUPAC name is N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]-4-(piperidin-1-ylmethyl)benzamide.

Molecular Properties

Compound NameN-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]-4-(piperidin-1-ylmethyl)benzamide
PubChem CID28636465
Molecular FormulaC23H31N3O4S
Molecular Weight445.59 g/mol
Exact Mass445.20
IUPAC NameN-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]-4-(piperidin-1-ylmethyl)benzamide
SMILESCOc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)c1ccc(CN2CCCCC2)cc1
InChIInChI=1S/C23H31N3O4S/c1-17(2)25-31(28,29)20-11-12-22(30-3)21(15-20)24-23(27)19-9-7-18(8-10-19)16-26-13-5-4-6-14-26/h7-12,15,17,25H,4-6,13-14,16H2,1-3H3,(H,24,27)
InChIKeyHDOQJGDWMQCWLE-UHFFFAOYSA-N
XLogP3.62
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.59
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]-4-(pyrrolidin-1-ylmethyl)benzamide
CID 28579384
4-tert-butyl-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]benzamide
CID 30399035
4-(azepan-1-ylmethyl)-N-(2-methoxyphenyl)benzamide
CID 43920267
N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-4-[(3-methylpiperidin-1-yl)methyl]benzamide
CID 46769837
2-methoxy-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]-5-piperidin-1-ylsulfonylbenzamide
CID 28575609
4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 92679944
N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-4-propan-2-ylbenzamide
CID 26065836
4-[(2,6-dichlorophenyl)methyl-methylsulfonylamino]-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]benzamide
CID 43909499
N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 92682610
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)benzamide
CID 100585854
4-[(2R)-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]benzamide
CID 94862615
N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]-3-phenylmethoxybenzamide
CID 43908166

Frequently Asked Questions

What is the IUPAC name of N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]-4-(piperidin-1-ylmethyl)benzamide?
The IUPAC name of N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]-4-(piperidin-1-ylmethyl)benzamide (CID 28636465) is N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]-4-(piperidin-1-ylmethyl)benzamide.
What is the SMILES notation for N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]-4-(piperidin-1-ylmethyl)benzamide?
The canonical SMILES for N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]-4-(piperidin-1-ylmethyl)benzamide is COc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)c1ccc(CN2CCCCC2)cc1.
What is the InChIKey of N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]-4-(piperidin-1-ylmethyl)benzamide?
The InChIKey is HDOQJGDWMQCWLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O4S/c1-17(2)25-31(28,29)20-11-12-22(30-3)21(15-20)24-23(27)19-9-7-18(8-10-19)16-26-13-5-4-6-14-26/h7-12,15,17,25H,4-6,13-14,16H2,1-3H3,(H,24,27).
What are the key properties of N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]-4-(piperidin-1-ylmethyl)benzamide?
N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]-4-(piperidin-1-ylmethyl)benzamide has a molecular weight of 445.59 g/mol, XLogP of 3.62, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]-4-(piperidin-1-ylmethyl)benzamide is sourced from PubChem (CID 28636465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).