4-fluoro-3-methyl-N-[[5-methyl-4-(4-methylpiperidine-1-carbonyl)-1,3-oxazol-2-yl]methyl]benzenesulfonamide

C19H24FN3O4S — CID 53195560

IUPAC4-fluoro-3-methyl-N-[[5-methyl-4-(4-methylpiperidine-1-carbonyl)-1,3-oxazol-2-yl]methyl]benzenesulfonamide
SMILESCc1cc(S(=O)(=O)NCc2nc(C(=O)N3CCC(C)CC3)c(C)o2)ccc1F
InChIInChI=1S/C19H24FN3O4S/c1-12-6-8-23(9-7-12)19(24)18-14(3)27-17(22-18)11-21-28(25,26)15-4-5-16(20)13(2)10-15/h4-5,10,12,21H,6-9,11H2,1-3H3
InChIKeyXTHSOEYHOKAFCR-UHFFFAOYSA-N
MW409.48 g/mol
LogP2.78
Rot. Bonds5

About 4-fluoro-3-methyl-N-[[5-methyl-4-(4-methylpiperidine-1-carbonyl)-1,3-oxazol-2-yl]methyl]benzenesulfonamide

4-fluoro-3-methyl-N-[[5-methyl-4-(4-methylpiperidine-1-carbonyl)-1,3-oxazol-2-yl]methyl]benzenesulfonamide (PubChem CID 53195560) has the molecular formula C19H24FN3O4S and a molecular weight of 409.48 g/mol. Its IUPAC name is 4-fluoro-3-methyl-N-[[5-methyl-4-(4-methylpiperidine-1-carbonyl)-1,3-oxazol-2-yl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-3-methyl-N-[[5-methyl-4-(4-methylpiperidine-1-carbonyl)-1,3-oxazol-2-yl]methyl]benzenesulfonamide
PubChem CID53195560
Molecular FormulaC19H24FN3O4S
Molecular Weight409.48 g/mol
Exact Mass409.15
IUPAC Name4-fluoro-3-methyl-N-[[5-methyl-4-(4-methylpiperidine-1-carbonyl)-1,3-oxazol-2-yl]methyl]benzenesulfonamide
SMILESCc1cc(S(=O)(=O)NCc2nc(C(=O)N3CCC(C)CC3)c(C)o2)ccc1F
InChIInChI=1S/C19H24FN3O4S/c1-12-6-8-23(9-7-12)19(24)18-14(3)27-17(22-18)11-21-28(25,26)15-4-5-16(20)13(2)10-15/h4-5,10,12,21H,6-9,11H2,1-3H3
InChIKeyXTHSOEYHOKAFCR-UHFFFAOYSA-N
XLogP2.78
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.48
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-fluoro-3-methyl-N-[[5-methyl-4-(4-methylpiperidine-1-carbonyl)-1,3-oxazol-2-yl]methyl]benzenesulfonamide with MolForge

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Related Compounds

N-[[5-methyl-4-(4-methylpiperidine-1-carbonyl)-1,3-oxazol-2-yl]methyl]thiophene-2-sulfonamide
CID 53195559
2-methyl-N-[[5-methyl-4-(4-methylpiperidine-1-carbonyl)-1,3-oxazol-2-yl]methyl]benzamide
CID 53195525
N-[(1-acetylpiperidin-4-yl)methyl]-4-fluoro-3-methylbenzenesulfonamide
CID 110736227
4-fluoro-3-methyl-N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]benzenesulfonamide
CID 112995681
N-[(2-methylphenyl)methyl]-3-(4-methylpiperidine-1-carbonyl)benzenesulfonamide
CID 109063474
2,6-dimethoxy-N-[[5-methyl-4-(4-methylpiperidine-1-carbonyl)-1,3-oxazol-2-yl]methyl]pyridine-3-carboxamide
CID 53195450
4-fluoro-3-methyl-N-[(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)methyl]benzenesulfonamide
CID 9188282
[5-[1-(4-fluoro-3-methylphenyl)sulfonylpiperidin-4-yl]pyrazolo[1,5-a]pyridin-3-yl]-(4-methylpiperidin-1-yl)methanone
CID 50848895
N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-4-fluoro-3-methylbenzenesulfonamide
CID 112991969
[1-(4-fluoro-3-methylphenyl)sulfonylpiperidin-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 113003143
4-fluoro-3-methyl-N-[(1S)-1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]benzenesulfonamide
CID 100696059
(4,5-difluoro-2-methylphenyl)-(4-methylpiperidin-1-yl)methanone
CID 593464

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-methyl-N-[[5-methyl-4-(4-methylpiperidine-1-carbonyl)-1,3-oxazol-2-yl]methyl]benzenesulfonamide?
The IUPAC name of 4-fluoro-3-methyl-N-[[5-methyl-4-(4-methylpiperidine-1-carbonyl)-1,3-oxazol-2-yl]methyl]benzenesulfonamide (CID 53195560) is 4-fluoro-3-methyl-N-[[5-methyl-4-(4-methylpiperidine-1-carbonyl)-1,3-oxazol-2-yl]methyl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-3-methyl-N-[[5-methyl-4-(4-methylpiperidine-1-carbonyl)-1,3-oxazol-2-yl]methyl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-3-methyl-N-[[5-methyl-4-(4-methylpiperidine-1-carbonyl)-1,3-oxazol-2-yl]methyl]benzenesulfonamide is Cc1cc(S(=O)(=O)NCc2nc(C(=O)N3CCC(C)CC3)c(C)o2)ccc1F.
What is the InChIKey of 4-fluoro-3-methyl-N-[[5-methyl-4-(4-methylpiperidine-1-carbonyl)-1,3-oxazol-2-yl]methyl]benzenesulfonamide?
The InChIKey is XTHSOEYHOKAFCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN3O4S/c1-12-6-8-23(9-7-12)19(24)18-14(3)27-17(22-18)11-21-28(25,26)15-4-5-16(20)13(2)10-15/h4-5,10,12,21H,6-9,11H2,1-3H3.
What are the key properties of 4-fluoro-3-methyl-N-[[5-methyl-4-(4-methylpiperidine-1-carbonyl)-1,3-oxazol-2-yl]methyl]benzenesulfonamide?
4-fluoro-3-methyl-N-[[5-methyl-4-(4-methylpiperidine-1-carbonyl)-1,3-oxazol-2-yl]methyl]benzenesulfonamide has a molecular weight of 409.48 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-methyl-N-[[5-methyl-4-(4-methylpiperidine-1-carbonyl)-1,3-oxazol-2-yl]methyl]benzenesulfonamide is sourced from PubChem (CID 53195560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).