4-(4-methylpiperidin-1-yl)sulfonyl-N-(1-pyridin-4-ylethyl)benzamide

C20H25N3O3S — CID 24542593

IUPAC4-(4-methylpiperidin-1-yl)sulfonyl-N-(1-pyridin-4-ylethyl)benzamide
SMILESCC1CCN(S(=O)(=O)c2ccc(C(=O)NC(C)c3ccncc3)cc2)CC1
InChIInChI=1S/C20H25N3O3S/c1-15-9-13-23(14-10-15)27(25,26)19-5-3-18(4-6-19)20(24)22-16(2)17-7-11-21-12-8-17/h3-8,11-12,15-16H,9-10,13-14H2,1-2H3,(H,22,24)
InChIKeyGUMGDYJEJBTKPX-UHFFFAOYSA-N
MW387.51 g/mol
LogP2.99
Rot. Bonds5

About 4-(4-methylpiperidin-1-yl)sulfonyl-N-(1-pyridin-4-ylethyl)benzamide

4-(4-methylpiperidin-1-yl)sulfonyl-N-(1-pyridin-4-ylethyl)benzamide (PubChem CID 24542593) has the molecular formula C20H25N3O3S and a molecular weight of 387.51 g/mol. Its IUPAC name is 4-(4-methylpiperidin-1-yl)sulfonyl-N-(1-pyridin-4-ylethyl)benzamide.

Molecular Properties

Compound Name4-(4-methylpiperidin-1-yl)sulfonyl-N-(1-pyridin-4-ylethyl)benzamide
PubChem CID24542593
Molecular FormulaC20H25N3O3S
Molecular Weight387.51 g/mol
Exact Mass387.16
IUPAC Name4-(4-methylpiperidin-1-yl)sulfonyl-N-(1-pyridin-4-ylethyl)benzamide
SMILESCC1CCN(S(=O)(=O)c2ccc(C(=O)NC(C)c3ccncc3)cc2)CC1
InChIInChI=1S/C20H25N3O3S/c1-15-9-13-23(14-10-15)27(25,26)19-5-3-18(4-6-19)20(24)22-16(2)17-7-11-21-12-8-17/h3-8,11-12,15-16H,9-10,13-14H2,1-2H3,(H,22,24)
InChIKeyGUMGDYJEJBTKPX-UHFFFAOYSA-N
XLogP2.99
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.51
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-methylpiperidin-1-yl)sulfonyl-N-[(1R)-1-phenylethyl]benzamide
CID 7536036
(2R,3S)-3-hydroxy-2-[[4-(4-methylpiperidin-1-yl)sulfonylbenzoyl]amino]butanoate
CID 9439318
3-(4-methylpiperidin-1-yl)sulfonyl-N-(1-phenylethyl)benzamide
CID 109063452
4-(cyclopropylsulfamoyl)-N-[(1R)-1-pyridin-4-ylethyl]benzamide
CID 30332182
4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide
CID 45354544
N-[(1R)-1-[4-[(3R)-3-methylpiperidin-1-yl]phenyl]ethyl]-4-morpholin-4-ylsulfonylbenzamide
CID 100679666
2-methyl-N-[1-(4-methylphenyl)ethyl]-5-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 43876623
2-methyl-N-[(1S)-1-(4-methylphenyl)ethyl]-5-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 28575758
4-(butan-2-ylsulfamoyl)-N-(1-pyridin-4-ylethyl)benzamide
CID 51164261
N-[(1S)-1-(4-ethylphenyl)ethyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 51857370
4-(4-methylpiperidin-1-yl)-3-(4-methylpiperidin-1-yl)sulfonyl-N-(1-phenylethyl)benzamide
CID 46349317
4-(4-methylpiperidin-1-yl)-3-(4-methylpiperidin-1-yl)sulfonyl-N-[(1R)-1-phenylethyl]benzamide
CID 92874906

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylpiperidin-1-yl)sulfonyl-N-(1-pyridin-4-ylethyl)benzamide?
The IUPAC name of 4-(4-methylpiperidin-1-yl)sulfonyl-N-(1-pyridin-4-ylethyl)benzamide (CID 24542593) is 4-(4-methylpiperidin-1-yl)sulfonyl-N-(1-pyridin-4-ylethyl)benzamide.
What is the SMILES notation for 4-(4-methylpiperidin-1-yl)sulfonyl-N-(1-pyridin-4-ylethyl)benzamide?
The canonical SMILES for 4-(4-methylpiperidin-1-yl)sulfonyl-N-(1-pyridin-4-ylethyl)benzamide is CC1CCN(S(=O)(=O)c2ccc(C(=O)NC(C)c3ccncc3)cc2)CC1.
What is the InChIKey of 4-(4-methylpiperidin-1-yl)sulfonyl-N-(1-pyridin-4-ylethyl)benzamide?
The InChIKey is GUMGDYJEJBTKPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3S/c1-15-9-13-23(14-10-15)27(25,26)19-5-3-18(4-6-19)20(24)22-16(2)17-7-11-21-12-8-17/h3-8,11-12,15-16H,9-10,13-14H2,1-2H3,(H,22,24).
What are the key properties of 4-(4-methylpiperidin-1-yl)sulfonyl-N-(1-pyridin-4-ylethyl)benzamide?
4-(4-methylpiperidin-1-yl)sulfonyl-N-(1-pyridin-4-ylethyl)benzamide has a molecular weight of 387.51 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylpiperidin-1-yl)sulfonyl-N-(1-pyridin-4-ylethyl)benzamide is sourced from PubChem (CID 24542593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).