N-cyclopentyl-2-[[3-(3,5-dimethylpiperidin-1-yl)sulfonylbenzoyl]amino]benzamide

C26H33N3O4S — CID 16548323

IUPACN-cyclopentyl-2-[[3-(3,5-dimethylpiperidin-1-yl)sulfonylbenzoyl]amino]benzamide
SMILESCC1CC(C)CN(S(=O)(=O)c2cccc(C(=O)Nc3ccccc3C(=O)NC3CCCC3)c2)C1
InChIInChI=1S/C26H33N3O4S/c1-18-14-19(2)17-29(16-18)34(32,33)22-11-7-8-20(15-22)25(30)28-24-13-6-5-12-23(24)26(31)27-21-9-3-4-10-21/h5-8,11-13,15,18-19,21H,3-4,9-10,14,16-17H2,1-2H3,(H,27,31)(H,28,30)
InChIKeyGSVFNGXBPPCSJL-UHFFFAOYSA-N
MW483.63 g/mol
LogP4.28
Rot. Bonds6

About N-cyclopentyl-2-[[3-(3,5-dimethylpiperidin-1-yl)sulfonylbenzoyl]amino]benzamide

N-cyclopentyl-2-[[3-(3,5-dimethylpiperidin-1-yl)sulfonylbenzoyl]amino]benzamide (PubChem CID 16548323) has the molecular formula C26H33N3O4S and a molecular weight of 483.63 g/mol. Its IUPAC name is N-cyclopentyl-2-[[3-(3,5-dimethylpiperidin-1-yl)sulfonylbenzoyl]amino]benzamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[[3-(3,5-dimethylpiperidin-1-yl)sulfonylbenzoyl]amino]benzamide
PubChem CID16548323
Molecular FormulaC26H33N3O4S
Molecular Weight483.63 g/mol
Exact Mass483.22
IUPAC NameN-cyclopentyl-2-[[3-(3,5-dimethylpiperidin-1-yl)sulfonylbenzoyl]amino]benzamide
SMILESCC1CC(C)CN(S(=O)(=O)c2cccc(C(=O)Nc3ccccc3C(=O)NC3CCCC3)c2)C1
InChIInChI=1S/C26H33N3O4S/c1-18-14-19(2)17-29(16-18)34(32,33)22-11-7-8-20(15-22)25(30)28-24-13-6-5-12-23(24)26(31)27-21-9-3-4-10-21/h5-8,11-13,15,18-19,21H,3-4,9-10,14,16-17H2,1-2H3,(H,27,31)(H,28,30)
InChIKeyGSVFNGXBPPCSJL-UHFFFAOYSA-N
XLogP4.28
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.63
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-3-(3,5-dimethylpiperidin-1-yl)sulfonylbenzamide
CID 51158808
N-(2,3-dimethylphenyl)-3-[(3S,5R)-3,5-dimethylpiperidin-1-yl]sulfonylbenzamide
CID 2347527
N-cycloheptyl-3-(3-methylpiperidin-1-yl)sulfonylbenzamide
CID 109065250
3-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-pyridin-2-ylbenzamide
CID 51194004
3-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(2-methylpiperidin-3-yl)benzamide
CID 120577985
N-ethyl-2-[[3-(4-methylpiperidin-1-yl)sulfonylbenzoyl]amino]benzamide
CID 3241862
N-cyclohexyl-2-[(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]benzamide
CID 100680992
N-cycloheptyl-5-(3,5-dimethylpiperidin-1-yl)sulfonyl-2-fluorobenzamide
CID 4621990
N-[2-(1H-benzimidazol-2-yl)phenyl]-3-(3,5-dimethylpiperidin-1-yl)sulfonylbenzamide
CID 5168409
3-(azepan-1-ylsulfonyl)-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]benzamide
CID 15996952
3-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-(2,4,6-trimethylphenyl)benzamide
CID 26085984
N-(2-chlorophenyl)-3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylbenzamide
CID 40844699

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[[3-(3,5-dimethylpiperidin-1-yl)sulfonylbenzoyl]amino]benzamide?
The IUPAC name of N-cyclopentyl-2-[[3-(3,5-dimethylpiperidin-1-yl)sulfonylbenzoyl]amino]benzamide (CID 16548323) is N-cyclopentyl-2-[[3-(3,5-dimethylpiperidin-1-yl)sulfonylbenzoyl]amino]benzamide.
What is the SMILES notation for N-cyclopentyl-2-[[3-(3,5-dimethylpiperidin-1-yl)sulfonylbenzoyl]amino]benzamide?
The canonical SMILES for N-cyclopentyl-2-[[3-(3,5-dimethylpiperidin-1-yl)sulfonylbenzoyl]amino]benzamide is CC1CC(C)CN(S(=O)(=O)c2cccc(C(=O)Nc3ccccc3C(=O)NC3CCCC3)c2)C1.
What is the InChIKey of N-cyclopentyl-2-[[3-(3,5-dimethylpiperidin-1-yl)sulfonylbenzoyl]amino]benzamide?
The InChIKey is GSVFNGXBPPCSJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N3O4S/c1-18-14-19(2)17-29(16-18)34(32,33)22-11-7-8-20(15-22)25(30)28-24-13-6-5-12-23(24)26(31)27-21-9-3-4-10-21/h5-8,11-13,15,18-19,21H,3-4,9-10,14,16-17H2,1-2H3,(H,27,31)(H,28,30).
What are the key properties of N-cyclopentyl-2-[[3-(3,5-dimethylpiperidin-1-yl)sulfonylbenzoyl]amino]benzamide?
N-cyclopentyl-2-[[3-(3,5-dimethylpiperidin-1-yl)sulfonylbenzoyl]amino]benzamide has a molecular weight of 483.63 g/mol, XLogP of 4.28, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[[3-(3,5-dimethylpiperidin-1-yl)sulfonylbenzoyl]amino]benzamide is sourced from PubChem (CID 16548323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).