4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)benzamide

C25H33N3O6S2 — CID 4850934

IUPAC4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)benzamide
SMILESCc1ccc(NC(=O)c2ccc(S(=O)(=O)N3CC(C)CC(C)C3)cc2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C25H33N3O6S2/c1-18-14-19(2)17-28(16-18)35(30,31)23-8-5-21(6-9-23)25(29)26-22-7-4-20(3)24(15-22)36(32,33)27-10-12-34-13-11-27/h4-9,15,18-19H,10-14,16-17H2,1-3H3,(H,26,29)
InChIKeyRRWIIAPDVJFQJW-UHFFFAOYSA-N
MW535.69 g/mol
LogP2.93
Rot. Bonds6

About 4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)benzamide

4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)benzamide (PubChem CID 4850934) has the molecular formula C25H33N3O6S2 and a molecular weight of 535.69 g/mol. Its IUPAC name is 4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)benzamide.

Molecular Properties

Compound Name4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)benzamide
PubChem CID4850934
Molecular FormulaC25H33N3O6S2
Molecular Weight535.69 g/mol
Exact Mass535.18
IUPAC Name4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)benzamide
SMILESCc1ccc(NC(=O)c2ccc(S(=O)(=O)N3CC(C)CC(C)C3)cc2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C25H33N3O6S2/c1-18-14-19(2)17-28(16-18)35(30,31)23-8-5-21(6-9-23)25(29)26-22-7-4-20(3)24(15-22)36(32,33)27-10-12-34-13-11-27/h4-9,15,18-19H,10-14,16-17H2,1-3H3,(H,26,29)
InChIKeyRRWIIAPDVJFQJW-UHFFFAOYSA-N
XLogP2.93
TPSA113.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500535.69
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(4-morpholin-4-ylphenyl)benzamide
CID 3909763
N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)naphthalene-2-carboxamide
CID 7929134
N-(4-tert-butylphenyl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 8779876
3-benzamido-4-methyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)benzamide
CID 55631501
N-(4-acetylphenyl)-4-morpholin-4-ylsulfonylbenzamide
CID 1152899
4-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-(3-methylphenyl)benzamide
CID 8713920
4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-(3-methylphenyl)benzamide
CID 8713922
N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-4-(2-oxopyrrolidin-1-yl)benzamide
CID 25434729
N-(1,3-benzodioxol-5-yl)-4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylbenzamide
CID 2634707
N-(3,5-dimethylphenyl)-4-morpholin-4-ylsulfonylbenzamide
CID 1077896
4-(3,6-dioxodiazinan-1-yl)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)benzamide
CID 47074202
4-(3,5-dimethylpyrazol-1-yl)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)benzamide
CID 4162856

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)benzamide?
The IUPAC name of 4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)benzamide (CID 4850934) is 4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)benzamide.
What is the SMILES notation for 4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)benzamide?
The canonical SMILES for 4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)benzamide is Cc1ccc(NC(=O)c2ccc(S(=O)(=O)N3CC(C)CC(C)C3)cc2)cc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of 4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)benzamide?
The InChIKey is RRWIIAPDVJFQJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3O6S2/c1-18-14-19(2)17-28(16-18)35(30,31)23-8-5-21(6-9-23)25(29)26-22-7-4-20(3)24(15-22)36(32,33)27-10-12-34-13-11-27/h4-9,15,18-19H,10-14,16-17H2,1-3H3,(H,26,29).
What are the key properties of 4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)benzamide?
4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)benzamide has a molecular weight of 535.69 g/mol, XLogP of 2.93, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)benzamide is sourced from PubChem (CID 4850934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).