(2R)-5-amino-2-(methanesulfonamido)-N-[3-(trifluoromethoxy)phenyl]pentanamide

C13H18F3N3O4S — CID 135386800

IUPAC(2R)-5-amino-2-(methanesulfonamido)-N-[3-(trifluoromethoxy)phenyl]pentanamide
SMILESCS(=O)(=O)N[C@H](CCCN)C(=O)Nc1cccc(OC(F)(F)F)c1
InChIInChI=1S/C13H18F3N3O4S/c1-24(21,22)19-11(6-3-7-17)12(20)18-9-4-2-5-10(8-9)23-13(14,15)16/h2,4-5,8,11,19H,3,6-7,17H2,1H3,(H,18,20)/t11-/m1/s1
InChIKeyVSVMNOSMEGDWHE-LLVKDONJSA-N
MW369.37 g/mol
LogP1.18
Rot. Bonds8

About (2R)-5-amino-2-(methanesulfonamido)-N-[3-(trifluoromethoxy)phenyl]pentanamide

(2R)-5-amino-2-(methanesulfonamido)-N-[3-(trifluoromethoxy)phenyl]pentanamide (PubChem CID 135386800) has the molecular formula C13H18F3N3O4S and a molecular weight of 369.37 g/mol. Its IUPAC name is (2R)-5-amino-2-(methanesulfonamido)-N-[3-(trifluoromethoxy)phenyl]pentanamide.

Molecular Properties

Compound Name(2R)-5-amino-2-(methanesulfonamido)-N-[3-(trifluoromethoxy)phenyl]pentanamide
PubChem CID135386800
Molecular FormulaC13H18F3N3O4S
Molecular Weight369.37 g/mol
Exact Mass369.10
IUPAC Name(2R)-5-amino-2-(methanesulfonamido)-N-[3-(trifluoromethoxy)phenyl]pentanamide
SMILESCS(=O)(=O)N[C@H](CCCN)C(=O)Nc1cccc(OC(F)(F)F)c1
InChIInChI=1S/C13H18F3N3O4S/c1-24(21,22)19-11(6-3-7-17)12(20)18-9-4-2-5-10(8-9)23-13(14,15)16/h2,4-5,8,11,19H,3,6-7,17H2,1H3,(H,18,20)/t11-/m1/s1
InChIKeyVSVMNOSMEGDWHE-LLVKDONJSA-N
XLogP1.18
TPSA110.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.37
LogP ≤ 51.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-3-(methanesulfonamido)-N-[3-(trifluoromethoxy)phenyl]propanamide
CID 135387411
2-(carbamoylamino)-4-methylsulfanyl-N-[3-(trifluoromethoxy)phenyl]butanamide
CID 55548634
2-amino-4-methoxy-N-[3-(trifluoromethoxy)phenyl]butanamide
CID 62473347
(2R)-2-amino-4,4,4-trifluoro-N-[3-(trifluoromethoxy)phenyl]butanamide
CID 135386298
2-amino-4-methyl-N-[3-(trifluoromethoxy)phenyl]pentanamide
CID 24691365
(2R)-2-amino-4-methylsulfanyl-N-[3-(trifluoromethoxy)phenyl]butanamide
CID 104906851
3-(methanesulfonamido)-N-[3-(trifluoromethoxy)phenyl]benzamide
CID 25342351
(2S)-2-(methylamino)-N-[3-(trifluoromethoxy)phenyl]propanamide
CID 68650128
2,2-dimethyl-N-[3-(trifluoromethoxy)phenyl]propanamide
CID 60725225
3-methyl-2-(3-methylbutanoylamino)-N-[3-(trifluoromethoxy)phenyl]butanamide
CID 55824930
2,2,2-trifluoro-N-[3-(trifluoromethoxy)phenyl]acetamide
CID 62489908
1-(3-methylbutyl)-3-[3-(trifluoromethoxy)phenyl]urea
CID 47201851

Frequently Asked Questions

What is the IUPAC name of (2R)-5-amino-2-(methanesulfonamido)-N-[3-(trifluoromethoxy)phenyl]pentanamide?
The IUPAC name of (2R)-5-amino-2-(methanesulfonamido)-N-[3-(trifluoromethoxy)phenyl]pentanamide (CID 135386800) is (2R)-5-amino-2-(methanesulfonamido)-N-[3-(trifluoromethoxy)phenyl]pentanamide.
What is the SMILES notation for (2R)-5-amino-2-(methanesulfonamido)-N-[3-(trifluoromethoxy)phenyl]pentanamide?
The canonical SMILES for (2R)-5-amino-2-(methanesulfonamido)-N-[3-(trifluoromethoxy)phenyl]pentanamide is CS(=O)(=O)N[C@H](CCCN)C(=O)Nc1cccc(OC(F)(F)F)c1.
What is the InChIKey of (2R)-5-amino-2-(methanesulfonamido)-N-[3-(trifluoromethoxy)phenyl]pentanamide?
The InChIKey is VSVMNOSMEGDWHE-LLVKDONJSA-N. The full InChI is InChI=1S/C13H18F3N3O4S/c1-24(21,22)19-11(6-3-7-17)12(20)18-9-4-2-5-10(8-9)23-13(14,15)16/h2,4-5,8,11,19H,3,6-7,17H2,1H3,(H,18,20)/t11-/m1/s1.
What are the key properties of (2R)-5-amino-2-(methanesulfonamido)-N-[3-(trifluoromethoxy)phenyl]pentanamide?
(2R)-5-amino-2-(methanesulfonamido)-N-[3-(trifluoromethoxy)phenyl]pentanamide has a molecular weight of 369.37 g/mol, XLogP of 1.18, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-5-amino-2-(methanesulfonamido)-N-[3-(trifluoromethoxy)phenyl]pentanamide is sourced from PubChem (CID 135386800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).