N-[(1R,2R)-2-[(2-methylbenzoyl)amino]cyclohexyl]-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-3-carboxamide

C27H32F3N3O4S — CID 51071393

IUPACN-[(1R,2R)-2-[(2-methylbenzoyl)amino]cyclohexyl]-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-3-carboxamide
SMILESCc1ccccc1C(=O)N[C@@H]1CCCC[C@H]1NC(=O)C1CCCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C27H32F3N3O4S/c1-18-8-2-3-12-22(18)26(35)32-24-14-5-4-13-23(24)31-25(34)19-9-7-15-33(17-19)38(36,37)21-11-6-10-20(16-21)27(28,29)30/h2-3,6,8,10-12,16,19,23-24H,4-5,7,9,13-15,17H2,1H3,(H,31,34)(H,32,35)/t19?,23-,24-/m1/s1
InChIKeySLWQWTAWSJWAFP-QLGUMYEUSA-N
MW551.63 g/mol
LogP4.27
Rot. Bonds6

About N-[(1R,2R)-2-[(2-methylbenzoyl)amino]cyclohexyl]-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-3-carboxamide

N-[(1R,2R)-2-[(2-methylbenzoyl)amino]cyclohexyl]-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-3-carboxamide (PubChem CID 51071393) has the molecular formula C27H32F3N3O4S and a molecular weight of 551.63 g/mol. Its IUPAC name is N-[(1R,2R)-2-[(2-methylbenzoyl)amino]cyclohexyl]-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-[(2-methylbenzoyl)amino]cyclohexyl]-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-3-carboxamide
PubChem CID51071393
Molecular FormulaC27H32F3N3O4S
Molecular Weight551.63 g/mol
Exact Mass551.21
IUPAC NameN-[(1R,2R)-2-[(2-methylbenzoyl)amino]cyclohexyl]-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-3-carboxamide
SMILESCc1ccccc1C(=O)N[C@@H]1CCCC[C@H]1NC(=O)C1CCCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C27H32F3N3O4S/c1-18-8-2-3-12-22(18)26(35)32-24-14-5-4-13-23(24)31-25(34)19-9-7-15-33(17-19)38(36,37)21-11-6-10-20(16-21)27(28,29)30/h2-3,6,8,10-12,16,19,23-24H,4-5,7,9,13-15,17H2,1H3,(H,31,34)(H,32,35)/t19?,23-,24-/m1/s1
InChIKeySLWQWTAWSJWAFP-QLGUMYEUSA-N
XLogP4.27
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500551.63
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(1R,2R)-2-[(2-methylbenzoyl)amino]cyclohexyl]-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-3-carboxamide with MolForge

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Related Compounds

1-(4-bromophenyl)sulfonyl-N-[(1R,2R)-2-[(2-methylbenzoyl)amino]cyclohexyl]piperidine-3-carboxamide
CID 51071388
1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-3-carboxylic acid
CID 3463250
(3S)-1-(cyclohexanecarbonyl)-N-[(1R,2R)-2-[(2-methylbenzoyl)amino]cyclohexyl]piperidine-3-carboxamide
CID 93013781
1-(cyclopropanecarbonyl)-N-[(1R,2R)-2-[(2-methylbenzoyl)amino]cyclohexyl]piperidine-3-carboxamide
CID 51071254
(3R)-1-(cyclobutanecarbonyl)-N-[(1R,2R)-2-[(2-methylbenzoyl)amino]cyclohexyl]piperidine-3-carboxamide
CID 93013804
1-(benzenesulfonyl)-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide
CID 74645148
(3S)-1-butanoyl-N-[(1R,2R)-2-[(2-methylbenzoyl)amino]cyclohexyl]piperidine-3-carboxamide
CID 93013762
2-methyl-N-[(1S,2S)-2-[(2-methylbenzoyl)amino]cyclohexyl]benzamide
CID 979091
(3S)-1-(4-acetamidophenyl)sulfonyl-N-[(1R,2R)-2-benzamidocyclohexyl]piperidine-3-carboxamide
CID 93013562
[4-(2-fluorophenyl)piperazin-1-yl]-[(3R)-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-3-yl]methanone
CID 1445943
1-(furan-2-carbonyl)-N-[(2R)-2-[(2-methylbenzoyl)amino]cyclohexyl]piperidine-3-carboxamide
CID 46104197
N-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]-2-methylbenzamide
CID 3218818

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-[(2-methylbenzoyl)amino]cyclohexyl]-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-3-carboxamide?
The IUPAC name of N-[(1R,2R)-2-[(2-methylbenzoyl)amino]cyclohexyl]-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-3-carboxamide (CID 51071393) is N-[(1R,2R)-2-[(2-methylbenzoyl)amino]cyclohexyl]-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N-[(1R,2R)-2-[(2-methylbenzoyl)amino]cyclohexyl]-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-[(1R,2R)-2-[(2-methylbenzoyl)amino]cyclohexyl]-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-3-carboxamide is Cc1ccccc1C(=O)N[C@@H]1CCCC[C@H]1NC(=O)C1CCCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)C1.
What is the InChIKey of N-[(1R,2R)-2-[(2-methylbenzoyl)amino]cyclohexyl]-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-3-carboxamide?
The InChIKey is SLWQWTAWSJWAFP-QLGUMYEUSA-N. The full InChI is InChI=1S/C27H32F3N3O4S/c1-18-8-2-3-12-22(18)26(35)32-24-14-5-4-13-23(24)31-25(34)19-9-7-15-33(17-19)38(36,37)21-11-6-10-20(16-21)27(28,29)30/h2-3,6,8,10-12,16,19,23-24H,4-5,7,9,13-15,17H2,1H3,(H,31,34)(H,32,35)/t19?,23-,24-/m1/s1.
What are the key properties of N-[(1R,2R)-2-[(2-methylbenzoyl)amino]cyclohexyl]-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-3-carboxamide?
N-[(1R,2R)-2-[(2-methylbenzoyl)amino]cyclohexyl]-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-3-carboxamide has a molecular weight of 551.63 g/mol, XLogP of 4.27, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-[(2-methylbenzoyl)amino]cyclohexyl]-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 51071393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).