3,5-dimethyl-N-[(1S)-2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]-1,2-oxazole-4-sulfonamide

C18H20F3N3O4S — CID 51946541

IUPAC3,5-dimethyl-N-[(1S)-2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)N[C@H](CN1CCCC1=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H20F3N3O4S/c1-11-17(12(2)28-22-11)29(26,27)23-15(10-24-8-4-7-16(24)25)13-5-3-6-14(9-13)18(19,20)21/h3,5-6,9,15,23H,4,7-8,10H2,1-2H3/t15-/m1/s1
InChIKeyZATRXEIVFJODQG-OAHLLOKOSA-N
MW431.44 g/mol
LogP2.95
Rot. Bonds6

About 3,5-dimethyl-N-[(1S)-2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]-1,2-oxazole-4-sulfonamide

3,5-dimethyl-N-[(1S)-2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]-1,2-oxazole-4-sulfonamide (PubChem CID 51946541) has the molecular formula C18H20F3N3O4S and a molecular weight of 431.44 g/mol. Its IUPAC name is 3,5-dimethyl-N-[(1S)-2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]-1,2-oxazole-4-sulfonamide.

Molecular Properties

Compound Name3,5-dimethyl-N-[(1S)-2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]-1,2-oxazole-4-sulfonamide
PubChem CID51946541
Molecular FormulaC18H20F3N3O4S
Molecular Weight431.44 g/mol
Exact Mass431.11
IUPAC Name3,5-dimethyl-N-[(1S)-2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)N[C@H](CN1CCCC1=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H20F3N3O4S/c1-11-17(12(2)28-22-11)29(26,27)23-15(10-24-8-4-7-16(24)25)13-5-3-6-14(9-13)18(19,20)21/h3,5-6,9,15,23H,4,7-8,10H2,1-2H3/t15-/m1/s1
InChIKeyZATRXEIVFJODQG-OAHLLOKOSA-N
XLogP2.95
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.44
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1R)-2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]thiophene-2-sulfonamide
CID 51946543
N-[(1S)-2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]acetamide
CID 94118048
4-methoxy-3-nitro-N-[2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]benzenesulfonamide
CID 55703435
4-methyl-N-[2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]-1,3-thiazole-5-carboxamide
CID 47036069
N-[(1S)-2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]butanamide
CID 94118050
1-[2-(5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]oxazepin-3-ylmethylamino)-2-[3-(trifluoromethyl)phenyl]ethyl]pyrrolidin-2-one
CID 138032105
1-[(2S)-2-[(3-methylimidazol-4-yl)methylamino]-2-[3-(trifluoromethyl)phenyl]ethyl]pyrrolidin-2-one
CID 124699954
(2R)-2-methylsulfanyl-N-[(1R)-2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]propanamide
CID 51953556
1-[(2S)-2-(1,3-benzodioxol-4-ylmethylamino)-2-[3-(trifluoromethyl)phenyl]ethyl]pyrrolidin-2-one
CID 51952418
1-[2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-2-[3-(trifluoromethyl)phenyl]ethyl]pyrrolidin-2-one
CID 86884933
3,5-dimethyl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,2-oxazole-4-sulfonamide
CID 3863030
1-(4-fluoro-3-methylphenyl)-3-[2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]urea
CID 86888512

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-[(1S)-2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]-1,2-oxazole-4-sulfonamide?
The IUPAC name of 3,5-dimethyl-N-[(1S)-2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]-1,2-oxazole-4-sulfonamide (CID 51946541) is 3,5-dimethyl-N-[(1S)-2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]-1,2-oxazole-4-sulfonamide.
What is the SMILES notation for 3,5-dimethyl-N-[(1S)-2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]-1,2-oxazole-4-sulfonamide?
The canonical SMILES for 3,5-dimethyl-N-[(1S)-2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]-1,2-oxazole-4-sulfonamide is Cc1noc(C)c1S(=O)(=O)N[C@H](CN1CCCC1=O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 3,5-dimethyl-N-[(1S)-2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]-1,2-oxazole-4-sulfonamide?
The InChIKey is ZATRXEIVFJODQG-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H20F3N3O4S/c1-11-17(12(2)28-22-11)29(26,27)23-15(10-24-8-4-7-16(24)25)13-5-3-6-14(9-13)18(19,20)21/h3,5-6,9,15,23H,4,7-8,10H2,1-2H3/t15-/m1/s1.
What are the key properties of 3,5-dimethyl-N-[(1S)-2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]-1,2-oxazole-4-sulfonamide?
3,5-dimethyl-N-[(1S)-2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]-1,2-oxazole-4-sulfonamide has a molecular weight of 431.44 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-[(1S)-2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]-1,2-oxazole-4-sulfonamide is sourced from PubChem (CID 51946541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).