N-cyclohexyl-4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-pyridin-2-ylbenzamide

C25H33N3O3S — CID 41071233

IUPACN-cyclohexyl-4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-pyridin-2-ylbenzamide
SMILESC[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(C(=O)N(c3ccccn3)C3CCCCC3)cc2)C1
InChIInChI=1S/C25H33N3O3S/c1-19-16-20(2)18-27(17-19)32(30,31)23-13-11-21(12-14-23)25(29)28(22-8-4-3-5-9-22)24-10-6-7-15-26-24/h6-7,10-15,19-20,22H,3-5,8-9,16-18H2,1-2H3/t19-,20-/m0/s1
InChIKeyNOLQDDIQUIABEL-PMACEKPBSA-N
MW455.62 g/mol
LogP4.73
Rot. Bonds5

About N-cyclohexyl-4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-pyridin-2-ylbenzamide

N-cyclohexyl-4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-pyridin-2-ylbenzamide (PubChem CID 41071233) has the molecular formula C25H33N3O3S and a molecular weight of 455.62 g/mol. Its IUPAC name is N-cyclohexyl-4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-pyridin-2-ylbenzamide.

Molecular Properties

Compound NameN-cyclohexyl-4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-pyridin-2-ylbenzamide
PubChem CID41071233
Molecular FormulaC25H33N3O3S
Molecular Weight455.62 g/mol
Exact Mass455.22
IUPAC NameN-cyclohexyl-4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-pyridin-2-ylbenzamide
SMILESC[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(C(=O)N(c3ccccn3)C3CCCCC3)cc2)C1
InChIInChI=1S/C25H33N3O3S/c1-19-16-20(2)18-27(17-19)32(30,31)23-13-11-21(12-14-23)25(29)28(22-8-4-3-5-9-22)24-10-6-7-15-26-24/h6-7,10-15,19-20,22H,3-5,8-9,16-18H2,1-2H3/t19-,20-/m0/s1
InChIKeyNOLQDDIQUIABEL-PMACEKPBSA-N
XLogP4.73
TPSA70.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.62
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-cyclohexyl-4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-pyridin-2-ylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-methyl-N-(1-phenylethyl)benzamide
CID 46601304
4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylbenzoate
CID 2049561
4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylbenzoyl chloride
CID 7109677
methyl 2-[benzyl-[4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzoyl]amino]acetate
CID 55816943
N-cyclopentyl-4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-methylbenzamide
CID 51268305
4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-phenylbenzamide
CID 4246673
4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-N',N'-dimethylbenzohydrazide
CID 9163818
4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(4-methylsulfonylphenyl)-N-propan-2-ylbenzamide
CID 56501705
(3R,5R)-3,5-dimethyl-1-(4-phenylphenyl)sulfonylpiperidine
CID 902590
3,4-dihydro-2H-quinolin-1-yl-[4-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonylphenyl]methanone
CID 7092245
4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-N-methylbenzamide
CID 86945904
4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzenesulfonyl chloride
CID 50987777

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-pyridin-2-ylbenzamide?
The IUPAC name of N-cyclohexyl-4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-pyridin-2-ylbenzamide (CID 41071233) is N-cyclohexyl-4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-pyridin-2-ylbenzamide.
What is the SMILES notation for N-cyclohexyl-4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-pyridin-2-ylbenzamide?
The canonical SMILES for N-cyclohexyl-4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-pyridin-2-ylbenzamide is C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(C(=O)N(c3ccccn3)C3CCCCC3)cc2)C1.
What is the InChIKey of N-cyclohexyl-4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-pyridin-2-ylbenzamide?
The InChIKey is NOLQDDIQUIABEL-PMACEKPBSA-N. The full InChI is InChI=1S/C25H33N3O3S/c1-19-16-20(2)18-27(17-19)32(30,31)23-13-11-21(12-14-23)25(29)28(22-8-4-3-5-9-22)24-10-6-7-15-26-24/h6-7,10-15,19-20,22H,3-5,8-9,16-18H2,1-2H3/t19-,20-/m0/s1.
What are the key properties of N-cyclohexyl-4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-pyridin-2-ylbenzamide?
N-cyclohexyl-4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-pyridin-2-ylbenzamide has a molecular weight of 455.62 g/mol, XLogP of 4.73, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-pyridin-2-ylbenzamide is sourced from PubChem (CID 41071233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).