3-[ethyl(phenyl)sulfamoyl]-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-4-methylbenzamide

C28H33N3O6S2 — CID 4849587

IUPAC3-[ethyl(phenyl)sulfamoyl]-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-4-methylbenzamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2OC)ccc1C
InChIInChI=1S/C28H33N3O6S2/c1-4-31(23-11-7-5-8-12-23)39(35,36)27-19-22(14-13-21(27)2)28(32)29-25-20-24(15-16-26(25)37-3)38(33,34)30-17-9-6-10-18-30/h5,7-8,11-16,19-20H,4,6,9-10,17-18H2,1-3H3,(H,29,32)
InChIKeyCMWKEEKJIMPCTN-UHFFFAOYSA-N
MW571.72 g/mol
LogP4.65
Rot. Bonds9

About 3-[ethyl(phenyl)sulfamoyl]-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-4-methylbenzamide

3-[ethyl(phenyl)sulfamoyl]-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-4-methylbenzamide (PubChem CID 4849587) has the molecular formula C28H33N3O6S2 and a molecular weight of 571.72 g/mol. Its IUPAC name is 3-[ethyl(phenyl)sulfamoyl]-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-4-methylbenzamide.

Molecular Properties

Compound Name3-[ethyl(phenyl)sulfamoyl]-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-4-methylbenzamide
PubChem CID4849587
Molecular FormulaC28H33N3O6S2
Molecular Weight571.72 g/mol
Exact Mass571.18
IUPAC Name3-[ethyl(phenyl)sulfamoyl]-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-4-methylbenzamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2OC)ccc1C
InChIInChI=1S/C28H33N3O6S2/c1-4-31(23-11-7-5-8-12-23)39(35,36)27-19-22(14-13-21(27)2)28(32)29-25-20-24(15-16-26(25)37-3)38(33,34)30-17-9-6-10-18-30/h5,7-8,11-16,19-20H,4,6,9-10,17-18H2,1-3H3,(H,29,32)
InChIKeyCMWKEEKJIMPCTN-UHFFFAOYSA-N
XLogP4.65
TPSA113.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500571.72
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 4849595
3-(dimethylamino)-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)benzamide
CID 7892910
3-[(3,5-dimethylphenyl)sulfamoyl]-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)-4-methylbenzamide
CID 43910285
N-(2-methoxy-5-methylphenyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 2684884
N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-4-(dimethylsulfamoyl)benzamide
CID 3963997
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-4-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 4857711
N-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]-2-piperidin-1-ylacetamide
CID 4826047
2-(N-(3,4-dimethoxyphenyl)sulfonylanilino)-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 43905601
N-(2,5-dimethoxyphenyl)-4-methyl-3-pyrrolidin-1-ylsulfonylbenzamide
CID 19059853
N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-1,3-benzodioxole-5-carboxamide
CID 5187446
4-[(2-methoxyphenyl)-methylsulfamoyl]-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)benzamide
CID 4846894
2-[N-(benzenesulfonyl)-4-methylanilino]-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 43901819

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl(phenyl)sulfamoyl]-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-4-methylbenzamide?
The IUPAC name of 3-[ethyl(phenyl)sulfamoyl]-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-4-methylbenzamide (CID 4849587) is 3-[ethyl(phenyl)sulfamoyl]-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-4-methylbenzamide.
What is the SMILES notation for 3-[ethyl(phenyl)sulfamoyl]-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-4-methylbenzamide?
The canonical SMILES for 3-[ethyl(phenyl)sulfamoyl]-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-4-methylbenzamide is CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2OC)ccc1C.
What is the InChIKey of 3-[ethyl(phenyl)sulfamoyl]-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-4-methylbenzamide?
The InChIKey is CMWKEEKJIMPCTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N3O6S2/c1-4-31(23-11-7-5-8-12-23)39(35,36)27-19-22(14-13-21(27)2)28(32)29-25-20-24(15-16-26(25)37-3)38(33,34)30-17-9-6-10-18-30/h5,7-8,11-16,19-20H,4,6,9-10,17-18H2,1-3H3,(H,29,32).
What are the key properties of 3-[ethyl(phenyl)sulfamoyl]-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-4-methylbenzamide?
3-[ethyl(phenyl)sulfamoyl]-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-4-methylbenzamide has a molecular weight of 571.72 g/mol, XLogP of 4.65, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl(phenyl)sulfamoyl]-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-4-methylbenzamide is sourced from PubChem (CID 4849587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).