4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide

C23H30N2O5S2 — CID 45354544

IUPAC4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide
SMILESCC1CC(C)CN(S(=O)(=O)c2ccc(C(=O)NC(C)c3ccc(S(C)(=O)=O)cc3)cc2)C1
InChIInChI=1S/C23H30N2O5S2/c1-16-13-17(2)15-25(14-16)32(29,30)22-11-7-20(8-12-22)23(26)24-18(3)19-5-9-21(10-6-19)31(4,27)28/h5-12,16-18H,13-15H2,1-4H3,(H,24,26)
InChIKeyCBJRNKXHCOYAEB-UHFFFAOYSA-N
MW478.64 g/mol
LogP3.25
Rot. Bonds6

About 4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide

4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide (PubChem CID 45354544) has the molecular formula C23H30N2O5S2 and a molecular weight of 478.64 g/mol. Its IUPAC name is 4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide.

Molecular Properties

Compound Name4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide
PubChem CID45354544
Molecular FormulaC23H30N2O5S2
Molecular Weight478.64 g/mol
Exact Mass478.16
IUPAC Name4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide
SMILESCC1CC(C)CN(S(=O)(=O)c2ccc(C(=O)NC(C)c3ccc(S(C)(=O)=O)cc3)cc2)C1
InChIInChI=1S/C23H30N2O5S2/c1-16-13-17(2)15-25(14-16)32(29,30)22-11-7-20(8-12-22)23(26)24-18(3)19-5-9-21(10-6-19)31(4,27)28/h5-12,16-18H,13-15H2,1-4H3,(H,24,26)
InChIKeyCBJRNKXHCOYAEB-UHFFFAOYSA-N
XLogP3.25
TPSA100.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.64
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1S)-1-cyclopropylethyl]-4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonylbenzamide
CID 9478716
N-[(2S)-1-aminopropan-2-yl]-4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzamide
CID 120508573
4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-pentan-3-ylbenzamide
CID 2623059
4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(4-methylsulfonylphenyl)-N-propan-2-ylbenzamide
CID 56501705
3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-[(1S)-1-phenylethyl]benzamide
CID 40896968
N-[1-(4-bromophenyl)ethyl]-3-(3,5-dimethylpiperidin-1-yl)sulfonylbenzamide
CID 16548256
4-(4-methylpiperidin-1-yl)sulfonyl-N-[(1R)-1-phenylethyl]benzamide
CID 7536036
4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-N',N'-dimethylbenzohydrazide
CID 9163818
4-(4-methylpiperidin-1-yl)sulfonyl-N-(1-pyridin-4-ylethyl)benzamide
CID 24542593
N-(3-aminobutyl)-4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzamide
CID 119499240
N'-[4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzoyl]-4-fluorobenzohydrazide
CID 18271490
4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylbenzoyl chloride
CID 7109677

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide?
The IUPAC name of 4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide (CID 45354544) is 4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide.
What is the SMILES notation for 4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide?
The canonical SMILES for 4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide is CC1CC(C)CN(S(=O)(=O)c2ccc(C(=O)NC(C)c3ccc(S(C)(=O)=O)cc3)cc2)C1.
What is the InChIKey of 4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide?
The InChIKey is CBJRNKXHCOYAEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O5S2/c1-16-13-17(2)15-25(14-16)32(29,30)22-11-7-20(8-12-22)23(26)24-18(3)19-5-9-21(10-6-19)31(4,27)28/h5-12,16-18H,13-15H2,1-4H3,(H,24,26).
What are the key properties of 4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide?
4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide has a molecular weight of 478.64 g/mol, XLogP of 3.25, 6 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-[1-(4-methylsulfonylphenyl)ethyl]benzamide is sourced from PubChem (CID 45354544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).