2-amino-3-(methanesulfonamido)-N-[3-(trifluoromethoxy)phenyl]propanamide

C11H14F3N3O4S — CID 135387411

IUPAC2-amino-3-(methanesulfonamido)-N-[3-(trifluoromethoxy)phenyl]propanamide
SMILESCS(=O)(=O)NCC(N)C(=O)Nc1cccc(OC(F)(F)F)c1
InChIInChI=1S/C11H14F3N3O4S/c1-22(19,20)16-6-9(15)10(18)17-7-3-2-4-8(5-7)21-11(12,13)14/h2-5,9,16H,6,15H2,1H3,(H,17,18)
InChIKeyGUDXLGCTHDABJB-UHFFFAOYSA-N
MW341.31 g/mol
LogP0.40
Rot. Bonds6

About 2-amino-3-(methanesulfonamido)-N-[3-(trifluoromethoxy)phenyl]propanamide

2-amino-3-(methanesulfonamido)-N-[3-(trifluoromethoxy)phenyl]propanamide (PubChem CID 135387411) has the molecular formula C11H14F3N3O4S and a molecular weight of 341.31 g/mol. Its IUPAC name is 2-amino-3-(methanesulfonamido)-N-[3-(trifluoromethoxy)phenyl]propanamide.

Molecular Properties

Compound Name2-amino-3-(methanesulfonamido)-N-[3-(trifluoromethoxy)phenyl]propanamide
PubChem CID135387411
Molecular FormulaC11H14F3N3O4S
Molecular Weight341.31 g/mol
Exact Mass341.07
IUPAC Name2-amino-3-(methanesulfonamido)-N-[3-(trifluoromethoxy)phenyl]propanamide
SMILESCS(=O)(=O)NCC(N)C(=O)Nc1cccc(OC(F)(F)F)c1
InChIInChI=1S/C11H14F3N3O4S/c1-22(19,20)16-6-9(15)10(18)17-7-3-2-4-8(5-7)21-11(12,13)14/h2-5,9,16H,6,15H2,1H3,(H,17,18)
InChIKeyGUDXLGCTHDABJB-UHFFFAOYSA-N
XLogP0.40
TPSA110.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.31
LogP ≤ 50.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(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
2-amino-4-methoxy-N-[3-(trifluoromethoxy)phenyl]butanamide
CID 62473347
(2R)-2-amino-4-methylsulfanyl-N-[3-(trifluoromethoxy)phenyl]butanamide
CID 104906851
(2R)-2-amino-3-[2-[(Z)-ethylidene(methyl)-λ4-sulfanyl]ethylamino]-N-[3-(trifluoromethoxy)phenyl]propanamide
CID 142480012
(2R)-5-amino-2-(methanesulfonamido)-N-[3-(trifluoromethoxy)phenyl]pentanamide
CID 135386800
(2S)-2-(methylamino)-N-[3-(trifluoromethoxy)phenyl]propanamide
CID 68650128
2,2,2-trifluoro-N-[3-(trifluoromethoxy)phenyl]acetamide
CID 62489908
2-amino-3-(1,3-thiazol-4-yl)-N-[3-(trifluoromethoxy)phenyl]propanamide
CID 135387018
3-(methanesulfonamido)-N-[3-(trifluoromethoxy)phenyl]benzamide
CID 25342351
2,2-dimethyl-N-[3-(trifluoromethoxy)phenyl]propanamide
CID 60725225
2-amino-N-(3-methoxyphenyl)-4-methylsulfonylbutanamide
CID 24711240

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(methanesulfonamido)-N-[3-(trifluoromethoxy)phenyl]propanamide?
The IUPAC name of 2-amino-3-(methanesulfonamido)-N-[3-(trifluoromethoxy)phenyl]propanamide (CID 135387411) is 2-amino-3-(methanesulfonamido)-N-[3-(trifluoromethoxy)phenyl]propanamide.
What is the SMILES notation for 2-amino-3-(methanesulfonamido)-N-[3-(trifluoromethoxy)phenyl]propanamide?
The canonical SMILES for 2-amino-3-(methanesulfonamido)-N-[3-(trifluoromethoxy)phenyl]propanamide is CS(=O)(=O)NCC(N)C(=O)Nc1cccc(OC(F)(F)F)c1.
What is the InChIKey of 2-amino-3-(methanesulfonamido)-N-[3-(trifluoromethoxy)phenyl]propanamide?
The InChIKey is GUDXLGCTHDABJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3O4S/c1-22(19,20)16-6-9(15)10(18)17-7-3-2-4-8(5-7)21-11(12,13)14/h2-5,9,16H,6,15H2,1H3,(H,17,18).
What are the key properties of 2-amino-3-(methanesulfonamido)-N-[3-(trifluoromethoxy)phenyl]propanamide?
2-amino-3-(methanesulfonamido)-N-[3-(trifluoromethoxy)phenyl]propanamide has a molecular weight of 341.31 g/mol, XLogP of 0.40, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(methanesulfonamido)-N-[3-(trifluoromethoxy)phenyl]propanamide is sourced from PubChem (CID 135387411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).