N-[2-(methanesulfonamido)-5-(trifluoromethyl)phenyl]-1-[(2S)-pyrrolidine-2-carbonyl]piperidine-4-carboxamide

C19H25F3N4O4S — CID 166355925

IUPACN-[2-(methanesulfonamido)-5-(trifluoromethyl)phenyl]-1-[(2S)-pyrrolidine-2-carbonyl]piperidine-4-carboxamide
SMILESCS(=O)(=O)Nc1ccc(C(F)(F)F)cc1NC(=O)C1CCN(C(=O)[C@@H]2CCCN2)CC1
InChIInChI=1S/C19H25F3N4O4S/c1-31(29,30)25-14-5-4-13(19(20,21)22)11-16(14)24-17(27)12-6-9-26(10-7-12)18(28)15-3-2-8-23-15/h4-5,11-12,15,23,25H,2-3,6-10H2,1H3,(H,24,27)/t15-/m0/s1
InChIKeyZHFIDBQSXSSMSK-HNNXBMFYSA-N
MW462.49 g/mol
LogP2.01
Rot. Bonds5

About N-[2-(methanesulfonamido)-5-(trifluoromethyl)phenyl]-1-[(2S)-pyrrolidine-2-carbonyl]piperidine-4-carboxamide

N-[2-(methanesulfonamido)-5-(trifluoromethyl)phenyl]-1-[(2S)-pyrrolidine-2-carbonyl]piperidine-4-carboxamide (PubChem CID 166355925) has the molecular formula C19H25F3N4O4S and a molecular weight of 462.49 g/mol. Its IUPAC name is N-[2-(methanesulfonamido)-5-(trifluoromethyl)phenyl]-1-[(2S)-pyrrolidine-2-carbonyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(methanesulfonamido)-5-(trifluoromethyl)phenyl]-1-[(2S)-pyrrolidine-2-carbonyl]piperidine-4-carboxamide
PubChem CID166355925
Molecular FormulaC19H25F3N4O4S
Molecular Weight462.49 g/mol
Exact Mass462.15
IUPAC NameN-[2-(methanesulfonamido)-5-(trifluoromethyl)phenyl]-1-[(2S)-pyrrolidine-2-carbonyl]piperidine-4-carboxamide
SMILESCS(=O)(=O)Nc1ccc(C(F)(F)F)cc1NC(=O)C1CCN(C(=O)[C@@H]2CCCN2)CC1
InChIInChI=1S/C19H25F3N4O4S/c1-31(29,30)25-14-5-4-13(19(20,21)22)11-16(14)24-17(27)12-6-9-26(10-7-12)18(28)15-3-2-8-23-15/h4-5,11-12,15,23,25H,2-3,6-10H2,1H3,(H,24,27)/t15-/m0/s1
InChIKeyZHFIDBQSXSSMSK-HNNXBMFYSA-N
XLogP2.01
TPSA107.61 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.49
LogP ≤ 52.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-N-[2-methyl-5-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide
CID 66478130
3-amino-N-[2-(methanesulfonamido)-5-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide;hydrochloride
CID 119775811
N-[2-(methanesulfonamido)phenyl]pyrrolidine-2-carboxamide
CID 43710867
(2S)-N-[2-fluoro-5-(trifluoromethyl)phenyl]piperidine-2-carboxamide
CID 103808490
N-[2-(methanesulfonamido)-5-(trifluoromethyl)phenyl]morpholine-2-carboxamide
CID 119775820
1-acetyl-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 108804445
N-(5-methyl-1,2-oxazol-3-yl)-1-(pyrrolidine-2-carbonyl)piperidine-4-carboxamide
CID 119276056
N-[5-fluoro-2-(methanesulfonamido)phenyl]cyclobutanecarboxamide
CID 113093375
(2R)-N-[3-chloro-4-(methanesulfonamido)phenyl]pyrrolidine-2-carboxamide
CID 104900746
(2R)-N-[2-methyl-4-[2-[4-(trifluoromethyl)phenyl]ethynyl]phenyl]pyrrolidine-2-carboxamide
CID 143190840
N-[4-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide
CID 11701623
N-[1-[(2R)-pyrrolidine-2-carbonyl]piperidin-4-yl]methanesulfonamide
CID 103794357

Frequently Asked Questions

What is the IUPAC name of N-[2-(methanesulfonamido)-5-(trifluoromethyl)phenyl]-1-[(2S)-pyrrolidine-2-carbonyl]piperidine-4-carboxamide?
The IUPAC name of N-[2-(methanesulfonamido)-5-(trifluoromethyl)phenyl]-1-[(2S)-pyrrolidine-2-carbonyl]piperidine-4-carboxamide (CID 166355925) is N-[2-(methanesulfonamido)-5-(trifluoromethyl)phenyl]-1-[(2S)-pyrrolidine-2-carbonyl]piperidine-4-carboxamide.
What is the SMILES notation for N-[2-(methanesulfonamido)-5-(trifluoromethyl)phenyl]-1-[(2S)-pyrrolidine-2-carbonyl]piperidine-4-carboxamide?
The canonical SMILES for N-[2-(methanesulfonamido)-5-(trifluoromethyl)phenyl]-1-[(2S)-pyrrolidine-2-carbonyl]piperidine-4-carboxamide is CS(=O)(=O)Nc1ccc(C(F)(F)F)cc1NC(=O)C1CCN(C(=O)[C@@H]2CCCN2)CC1.
What is the InChIKey of N-[2-(methanesulfonamido)-5-(trifluoromethyl)phenyl]-1-[(2S)-pyrrolidine-2-carbonyl]piperidine-4-carboxamide?
The InChIKey is ZHFIDBQSXSSMSK-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H25F3N4O4S/c1-31(29,30)25-14-5-4-13(19(20,21)22)11-16(14)24-17(27)12-6-9-26(10-7-12)18(28)15-3-2-8-23-15/h4-5,11-12,15,23,25H,2-3,6-10H2,1H3,(H,24,27)/t15-/m0/s1.
What are the key properties of N-[2-(methanesulfonamido)-5-(trifluoromethyl)phenyl]-1-[(2S)-pyrrolidine-2-carbonyl]piperidine-4-carboxamide?
N-[2-(methanesulfonamido)-5-(trifluoromethyl)phenyl]-1-[(2S)-pyrrolidine-2-carbonyl]piperidine-4-carboxamide has a molecular weight of 462.49 g/mol, XLogP of 2.01, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(methanesulfonamido)-5-(trifluoromethyl)phenyl]-1-[(2S)-pyrrolidine-2-carbonyl]piperidine-4-carboxamide is sourced from PubChem (CID 166355925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).