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

C24H31N3O4S — CID 3909763

IUPAC4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(4-morpholin-4-ylphenyl)benzamide
SMILESCC1CC(C)CN(S(=O)(=O)c2ccc(C(=O)Nc3ccc(N4CCOCC4)cc3)cc2)C1
InChIInChI=1S/C24H31N3O4S/c1-18-15-19(2)17-27(16-18)32(29,30)23-9-3-20(4-10-23)24(28)25-21-5-7-22(8-6-21)26-11-13-31-14-12-26/h3-10,18-19H,11-17H2,1-2H3,(H,25,28)
InChIKeyNVCZLWGMDGCARX-UHFFFAOYSA-N
MW457.60 g/mol
LogP3.44
Rot. Bonds5

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

4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(4-morpholin-4-ylphenyl)benzamide (PubChem CID 3909763) has the molecular formula C24H31N3O4S and a molecular weight of 457.60 g/mol. Its IUPAC name is 4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(4-morpholin-4-ylphenyl)benzamide.

Molecular Properties

Compound Name4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(4-morpholin-4-ylphenyl)benzamide
PubChem CID3909763
Molecular FormulaC24H31N3O4S
Molecular Weight457.60 g/mol
Exact Mass457.20
IUPAC Name4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(4-morpholin-4-ylphenyl)benzamide
SMILESCC1CC(C)CN(S(=O)(=O)c2ccc(C(=O)Nc3ccc(N4CCOCC4)cc3)cc2)C1
InChIInChI=1S/C24H31N3O4S/c1-18-15-19(2)17-27(16-18)32(29,30)23-9-3-20(4-10-23)24(28)25-21-5-7-22(8-6-21)26-11-13-31-14-12-26/h3-10,18-19H,11-17H2,1-2H3,(H,25,28)
InChIKeyNVCZLWGMDGCARX-UHFFFAOYSA-N
XLogP3.44
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.60
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

4-(4-methylpiperidin-1-yl)sulfonyl-N-(4-morpholin-4-ylphenyl)benzamide
CID 26269172
4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)benzamide
CID 4850934
4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-(4-fluorophenyl)benzamide
CID 2634767
4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(4-fluorophenyl)benzamide
CID 4113027
4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-phenylbenzamide
CID 4246673
4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-(4-pyrrolidin-1-ylphenyl)benzamide
CID 41170655
N-(4-morpholin-4-ylphenyl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 46385825
N-(4-acetylphenyl)-4-morpholin-4-ylsulfonylbenzamide
CID 1152899
N-[4-(4-methylpiperidin-1-yl)phenyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 9033710
N-(4-cyanophenyl)-4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzamide
CID 18266563
N-[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]furan-3-carboxamide
CID 46647395
4-acetyl-N-(4-morpholin-4-ylphenyl)benzamide
CID 803418

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(4-morpholin-4-ylphenyl)benzamide?
The IUPAC name of 4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(4-morpholin-4-ylphenyl)benzamide (CID 3909763) is 4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(4-morpholin-4-ylphenyl)benzamide.
What is the SMILES notation for 4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(4-morpholin-4-ylphenyl)benzamide?
The canonical SMILES for 4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(4-morpholin-4-ylphenyl)benzamide is CC1CC(C)CN(S(=O)(=O)c2ccc(C(=O)Nc3ccc(N4CCOCC4)cc3)cc2)C1.
What is the InChIKey of 4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(4-morpholin-4-ylphenyl)benzamide?
The InChIKey is NVCZLWGMDGCARX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O4S/c1-18-15-19(2)17-27(16-18)32(29,30)23-9-3-20(4-10-23)24(28)25-21-5-7-22(8-6-21)26-11-13-31-14-12-26/h3-10,18-19H,11-17H2,1-2H3,(H,25,28).
What are the key properties of 4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(4-morpholin-4-ylphenyl)benzamide?
4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(4-morpholin-4-ylphenyl)benzamide has a molecular weight of 457.60 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(4-morpholin-4-ylphenyl)benzamide is sourced from PubChem (CID 3909763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).