4-[(2-methoxyphenyl)-methylsulfamoyl]-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)benzamide

C27H31N3O6S2 — CID 4846894

IUPAC4-[(2-methoxyphenyl)-methylsulfamoyl]-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)benzamide
SMILESCOc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2C)cc1
InChIInChI=1S/C27H31N3O6S2/c1-20-11-14-23(38(34,35)30-17-7-4-8-18-30)19-24(20)28-27(31)21-12-15-22(16-13-21)37(32,33)29(2)25-9-5-6-10-26(25)36-3/h5-6,9-16,19H,4,7-8,17-18H2,1-3H3,(H,28,31)
InChIKeyVUFLVAFZLRGLJX-UHFFFAOYSA-N
MW557.69 g/mol
LogP4.26
Rot. Bonds8

About 4-[(2-methoxyphenyl)-methylsulfamoyl]-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)benzamide

4-[(2-methoxyphenyl)-methylsulfamoyl]-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)benzamide (PubChem CID 4846894) has the molecular formula C27H31N3O6S2 and a molecular weight of 557.69 g/mol. Its IUPAC name is 4-[(2-methoxyphenyl)-methylsulfamoyl]-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)benzamide.

Molecular Properties

Compound Name4-[(2-methoxyphenyl)-methylsulfamoyl]-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)benzamide
PubChem CID4846894
Molecular FormulaC27H31N3O6S2
Molecular Weight557.69 g/mol
Exact Mass557.17
IUPAC Name4-[(2-methoxyphenyl)-methylsulfamoyl]-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)benzamide
SMILESCOc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2C)cc1
InChIInChI=1S/C27H31N3O6S2/c1-20-11-14-23(38(34,35)30-17-7-4-8-18-30)19-24(20)28-27(31)21-12-15-22(16-13-21)37(32,33)29(2)25-9-5-6-10-26(25)36-3/h5-6,9-16,19H,4,7-8,17-18H2,1-3H3,(H,28,31)
InChIKeyVUFLVAFZLRGLJX-UHFFFAOYSA-N
XLogP4.26
TPSA113.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500557.69
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(dimethylsulfamoyl)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)benzamide
CID 4852363
N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-4-(dimethylsulfamoyl)benzamide
CID 3963997
methyl 4-[(2-methyl-5-piperidin-1-ylsulfonylphenyl)carbamoyl]benzoate
CID 7695652
N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-4-methylsulfonylbenzamide
CID 18284846
4-[(4-methoxyphenyl)sulfonyl-methylamino]-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 43876196
N-(4-chloro-2-methylphenyl)-4-[(2-methoxyphenyl)-methylsulfamoyl]benzamide
CID 24513051
N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 4849595
4-(2-amino-2-oxoethoxy)-3,5-dimethoxy-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)benzamide
CID 55429440
2-methoxy-N-[2-(2-methyl-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl]benzamide
CID 43005431
3-(dimethylamino)-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)benzamide
CID 7892910
4-[(2-methoxyphenyl)-methylsulfamoyl]-N-(8-methylquinolin-5-yl)benzamide
CID 38277483
N-(2-methoxyphenyl)-N-methyl-4-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 27670349

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methoxyphenyl)-methylsulfamoyl]-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)benzamide?
The IUPAC name of 4-[(2-methoxyphenyl)-methylsulfamoyl]-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)benzamide (CID 4846894) is 4-[(2-methoxyphenyl)-methylsulfamoyl]-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)benzamide.
What is the SMILES notation for 4-[(2-methoxyphenyl)-methylsulfamoyl]-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)benzamide?
The canonical SMILES for 4-[(2-methoxyphenyl)-methylsulfamoyl]-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)benzamide is COc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2C)cc1.
What is the InChIKey of 4-[(2-methoxyphenyl)-methylsulfamoyl]-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)benzamide?
The InChIKey is VUFLVAFZLRGLJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N3O6S2/c1-20-11-14-23(38(34,35)30-17-7-4-8-18-30)19-24(20)28-27(31)21-12-15-22(16-13-21)37(32,33)29(2)25-9-5-6-10-26(25)36-3/h5-6,9-16,19H,4,7-8,17-18H2,1-3H3,(H,28,31).
What are the key properties of 4-[(2-methoxyphenyl)-methylsulfamoyl]-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)benzamide?
4-[(2-methoxyphenyl)-methylsulfamoyl]-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)benzamide has a molecular weight of 557.69 g/mol, XLogP of 4.26, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methoxyphenyl)-methylsulfamoyl]-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)benzamide is sourced from PubChem (CID 4846894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).