3-(2-fluoro-4-methylsulfonylphenoxy)-1-[1-[3-(4-methyloxan-4-yl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]pyrrolidin-2-one

C24H31FN4O5S2 — CID 90388999

IUPAC3-(2-fluoro-4-methylsulfonylphenoxy)-1-[1-[3-(4-methyloxan-4-yl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]pyrrolidin-2-one
SMILESCC1(c2nsc(N3CCC(N4CCC(Oc5ccc(S(C)(=O)=O)cc5F)C4=O)CC3)n2)CCOCC1
InChIInChI=1S/C24H31FN4O5S2/c1-24(8-13-33-14-9-24)22-26-23(35-27-22)28-10-5-16(6-11-28)29-12-7-20(21(29)30)34-19-4-3-17(15-18(19)25)36(2,31)32/h3-4,15-16,20H,5-14H2,1-2H3
InChIKeyGEFWXBVAXGTDRX-UHFFFAOYSA-N
MW538.67 g/mol
LogP2.80
Rot. Bonds6

About 3-(2-fluoro-4-methylsulfonylphenoxy)-1-[1-[3-(4-methyloxan-4-yl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]pyrrolidin-2-one

3-(2-fluoro-4-methylsulfonylphenoxy)-1-[1-[3-(4-methyloxan-4-yl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]pyrrolidin-2-one (PubChem CID 90388999) has the molecular formula C24H31FN4O5S2 and a molecular weight of 538.67 g/mol. Its IUPAC name is 3-(2-fluoro-4-methylsulfonylphenoxy)-1-[1-[3-(4-methyloxan-4-yl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name3-(2-fluoro-4-methylsulfonylphenoxy)-1-[1-[3-(4-methyloxan-4-yl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]pyrrolidin-2-one
PubChem CID90388999
Molecular FormulaC24H31FN4O5S2
Molecular Weight538.67 g/mol
Exact Mass538.17
IUPAC Name3-(2-fluoro-4-methylsulfonylphenoxy)-1-[1-[3-(4-methyloxan-4-yl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]pyrrolidin-2-one
SMILESCC1(c2nsc(N3CCC(N4CCC(Oc5ccc(S(C)(=O)=O)cc5F)C4=O)CC3)n2)CCOCC1
InChIInChI=1S/C24H31FN4O5S2/c1-24(8-13-33-14-9-24)22-26-23(35-27-22)28-10-5-16(6-11-28)29-12-7-20(21(29)30)34-19-4-3-17(15-18(19)25)36(2,31)32/h3-4,15-16,20H,5-14H2,1-2H3
InChIKeyGEFWXBVAXGTDRX-UHFFFAOYSA-N
XLogP2.80
TPSA101.93 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500538.67
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 3-(2-fluoro-4-methylsulfonylphenoxy)-1-[1-[3-(4-methyloxan-4-yl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]pyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S)-1-[1-(3-bromo-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-3-(2-fluoro-4-methylsulfonylphenoxy)pyrrolidin-2-one
CID 90388990
3-(2-fluoro-4-methylsulfonylphenoxy)-1-[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]pyrrolidin-2-one
CID 90388879
(3S)-3-(2-fluoro-4-methylsulfonylphenoxy)-1-[1-[3-(1,3-oxazol-5-yl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]pyrrolidin-2-one
CID 90388825
3-(2-fluoro-4-propan-2-ylsulfonylphenoxy)-1-[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]pyrrolidin-2-one
CID 90388989
3-(2,5-difluoro-4-methylsulfonylphenoxy)-1-[1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]pyrrolidin-2-one
CID 90388868
3-[4-(cyclopropylmethylsulfonyl)-2-fluorophenoxy]-1-[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]pyrrolidin-2-one;2,2,2-trifluoroacetic acid
CID 90388873
(3S)-3-(2,6-difluoro-4-methylsulfonylphenoxy)-1-[1-[3-(2-methoxypropan-2-yl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]pyrrolidin-2-one
CID 90388887
(3S)-3-(2-fluoro-4-methylphenoxy)-1-[1-[3-(1,3-oxazol-5-yl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]pyrrolidin-2-one
CID 90398056
3-(4-bromo-2-fluoro-5-methylphenoxy)-1-[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]pyrrolidin-2-one
CID 90388933
5-fluoro-2-methyl-4-[2-oxo-1-[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]pyrrolidin-3-yl]oxybenzonitrile
CID 90389009
(3S)-3-[(2-fluoro-4-methylsulfonylphenyl)methyl]-1-[1-[3-(2-methoxypropan-2-yl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]pyrrolidin-2-one
CID 158454164
(3S)-3-(2,6-difluoro-4-methylsulfonylphenoxy)-1-piperidin-4-ylpyrrolidin-2-one;hydrochloride
CID 66800457

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoro-4-methylsulfonylphenoxy)-1-[1-[3-(4-methyloxan-4-yl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]pyrrolidin-2-one?
The IUPAC name of 3-(2-fluoro-4-methylsulfonylphenoxy)-1-[1-[3-(4-methyloxan-4-yl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]pyrrolidin-2-one (CID 90388999) is 3-(2-fluoro-4-methylsulfonylphenoxy)-1-[1-[3-(4-methyloxan-4-yl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]pyrrolidin-2-one.
What is the SMILES notation for 3-(2-fluoro-4-methylsulfonylphenoxy)-1-[1-[3-(4-methyloxan-4-yl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]pyrrolidin-2-one?
The canonical SMILES for 3-(2-fluoro-4-methylsulfonylphenoxy)-1-[1-[3-(4-methyloxan-4-yl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]pyrrolidin-2-one is CC1(c2nsc(N3CCC(N4CCC(Oc5ccc(S(C)(=O)=O)cc5F)C4=O)CC3)n2)CCOCC1.
What is the InChIKey of 3-(2-fluoro-4-methylsulfonylphenoxy)-1-[1-[3-(4-methyloxan-4-yl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]pyrrolidin-2-one?
The InChIKey is GEFWXBVAXGTDRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31FN4O5S2/c1-24(8-13-33-14-9-24)22-26-23(35-27-22)28-10-5-16(6-11-28)29-12-7-20(21(29)30)34-19-4-3-17(15-18(19)25)36(2,31)32/h3-4,15-16,20H,5-14H2,1-2H3.
What are the key properties of 3-(2-fluoro-4-methylsulfonylphenoxy)-1-[1-[3-(4-methyloxan-4-yl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]pyrrolidin-2-one?
3-(2-fluoro-4-methylsulfonylphenoxy)-1-[1-[3-(4-methyloxan-4-yl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]pyrrolidin-2-one has a molecular weight of 538.67 g/mol, XLogP of 2.80, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoro-4-methylsulfonylphenoxy)-1-[1-[3-(4-methyloxan-4-yl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]pyrrolidin-2-one is sourced from PubChem (CID 90388999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).