N-[[4-[(2-methoxy-5-piperidin-1-ylsulfonylphenyl)sulfamoyl]phenyl]methyl]acetamide

C21H27N3O6S2 — CID 4689808

IUPACN-[[4-[(2-methoxy-5-piperidin-1-ylsulfonylphenyl)sulfamoyl]phenyl]methyl]acetamide
SMILESCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NS(=O)(=O)c1ccc(CNC(C)=O)cc1
InChIInChI=1S/C21H27N3O6S2/c1-16(25)22-15-17-6-8-18(9-7-17)31(26,27)23-20-14-19(10-11-21(20)30-2)32(28,29)24-12-4-3-5-13-24/h6-11,14,23H,3-5,12-13,15H2,1-2H3,(H,22,25)
InChIKeyRRNMYPCBGGPFJB-UHFFFAOYSA-N
MW481.60 g/mol
LogP2.31
Rot. Bonds8

About N-[[4-[(2-methoxy-5-piperidin-1-ylsulfonylphenyl)sulfamoyl]phenyl]methyl]acetamide

N-[[4-[(2-methoxy-5-piperidin-1-ylsulfonylphenyl)sulfamoyl]phenyl]methyl]acetamide (PubChem CID 4689808) has the molecular formula C21H27N3O6S2 and a molecular weight of 481.60 g/mol. Its IUPAC name is N-[[4-[(2-methoxy-5-piperidin-1-ylsulfonylphenyl)sulfamoyl]phenyl]methyl]acetamide.

Molecular Properties

Compound NameN-[[4-[(2-methoxy-5-piperidin-1-ylsulfonylphenyl)sulfamoyl]phenyl]methyl]acetamide
PubChem CID4689808
Molecular FormulaC21H27N3O6S2
Molecular Weight481.60 g/mol
Exact Mass481.13
IUPAC NameN-[[4-[(2-methoxy-5-piperidin-1-ylsulfonylphenyl)sulfamoyl]phenyl]methyl]acetamide
SMILESCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NS(=O)(=O)c1ccc(CNC(C)=O)cc1
InChIInChI=1S/C21H27N3O6S2/c1-16(25)22-15-17-6-8-18(9-7-17)31(26,27)23-20-14-19(10-11-21(20)30-2)32(28,29)24-12-4-3-5-13-24/h6-11,14,23H,3-5,12-13,15H2,1-2H3,(H,22,25)
InChIKeyRRNMYPCBGGPFJB-UHFFFAOYSA-N
XLogP2.31
TPSA121.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.60
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[4-[(2-methoxy-5-piperidin-1-ylsulfonylphenyl)sulfamoyl]phenyl]methyl]acetamide?
The IUPAC name of N-[[4-[(2-methoxy-5-piperidin-1-ylsulfonylphenyl)sulfamoyl]phenyl]methyl]acetamide (CID 4689808) is N-[[4-[(2-methoxy-5-piperidin-1-ylsulfonylphenyl)sulfamoyl]phenyl]methyl]acetamide.
What is the SMILES notation for N-[[4-[(2-methoxy-5-piperidin-1-ylsulfonylphenyl)sulfamoyl]phenyl]methyl]acetamide?
The canonical SMILES for N-[[4-[(2-methoxy-5-piperidin-1-ylsulfonylphenyl)sulfamoyl]phenyl]methyl]acetamide is COc1ccc(S(=O)(=O)N2CCCCC2)cc1NS(=O)(=O)c1ccc(CNC(C)=O)cc1.
What is the InChIKey of N-[[4-[(2-methoxy-5-piperidin-1-ylsulfonylphenyl)sulfamoyl]phenyl]methyl]acetamide?
The InChIKey is RRNMYPCBGGPFJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O6S2/c1-16(25)22-15-17-6-8-18(9-7-17)31(26,27)23-20-14-19(10-11-21(20)30-2)32(28,29)24-12-4-3-5-13-24/h6-11,14,23H,3-5,12-13,15H2,1-2H3,(H,22,25).
What are the key properties of N-[[4-[(2-methoxy-5-piperidin-1-ylsulfonylphenyl)sulfamoyl]phenyl]methyl]acetamide?
N-[[4-[(2-methoxy-5-piperidin-1-ylsulfonylphenyl)sulfamoyl]phenyl]methyl]acetamide has a molecular weight of 481.60 g/mol, XLogP of 2.31, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(2-methoxy-5-piperidin-1-ylsulfonylphenyl)sulfamoyl]phenyl]methyl]acetamide is sourced from PubChem (CID 4689808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).