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

C21H27FN4O4S2 — CID 90388879

IUPAC3-(2-fluoro-4-methylsulfonylphenoxy)-1-[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]pyrrolidin-2-one
SMILESCC(C)c1nsc(N2CCC(N3CCC(Oc4ccc(S(C)(=O)=O)cc4F)C3=O)CC2)n1
InChIInChI=1S/C21H27FN4O4S2/c1-13(2)19-23-21(31-24-19)25-9-6-14(7-10-25)26-11-8-18(20(26)27)30-17-5-4-15(12-16(17)22)32(3,28)29/h4-5,12-14,18H,6-11H2,1-3H3
InChIKeyJSGQRPUMQSHOPS-UHFFFAOYSA-N
MW482.60 g/mol
LogP2.85
Rot. Bonds6

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

3-(2-fluoro-4-methylsulfonylphenoxy)-1-[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]pyrrolidin-2-one (PubChem CID 90388879) has the molecular formula C21H27FN4O4S2 and a molecular weight of 482.60 g/mol. Its IUPAC name is 3-(2-fluoro-4-methylsulfonylphenoxy)-1-[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name3-(2-fluoro-4-methylsulfonylphenoxy)-1-[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]pyrrolidin-2-one
PubChem CID90388879
Molecular FormulaC21H27FN4O4S2
Molecular Weight482.60 g/mol
Exact Mass482.15
IUPAC Name3-(2-fluoro-4-methylsulfonylphenoxy)-1-[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]pyrrolidin-2-one
SMILESCC(C)c1nsc(N2CCC(N3CCC(Oc4ccc(S(C)(=O)=O)cc4F)C3=O)CC2)n1
InChIInChI=1S/C21H27FN4O4S2/c1-13(2)19-23-21(31-24-19)25-9-6-14(7-10-25)26-11-8-18(20(26)27)30-17-5-4-15(12-16(17)22)32(3,28)29/h4-5,12-14,18H,6-11H2,1-3H3
InChIKeyJSGQRPUMQSHOPS-UHFFFAOYSA-N
XLogP2.85
TPSA92.70 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.60
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 3-(2-fluoro-4-methylsulfonylphenoxy)-1-[1-(3-propan-2-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

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
(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-[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
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
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
(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
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
(3R)-3-[(4-cyclopropylsulfonyl-2-fluorophenyl)methyl]-1-[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]pyrrolidin-2-one
CID 146925053
3-(2,5-difluoro-4-methylsulfonylphenoxy)-1-[1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]pyrrolidin-2-one
CID 90388868
(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
(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

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoro-4-methylsulfonylphenoxy)-1-[1-(3-propan-2-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-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]pyrrolidin-2-one (CID 90388879) is 3-(2-fluoro-4-methylsulfonylphenoxy)-1-[1-(3-propan-2-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-propan-2-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-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]pyrrolidin-2-one is CC(C)c1nsc(N2CCC(N3CCC(Oc4ccc(S(C)(=O)=O)cc4F)C3=O)CC2)n1.
What is the InChIKey of 3-(2-fluoro-4-methylsulfonylphenoxy)-1-[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]pyrrolidin-2-one?
The InChIKey is JSGQRPUMQSHOPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27FN4O4S2/c1-13(2)19-23-21(31-24-19)25-9-6-14(7-10-25)26-11-8-18(20(26)27)30-17-5-4-15(12-16(17)22)32(3,28)29/h4-5,12-14,18H,6-11H2,1-3H3.
What are the key properties of 3-(2-fluoro-4-methylsulfonylphenoxy)-1-[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]pyrrolidin-2-one?
3-(2-fluoro-4-methylsulfonylphenoxy)-1-[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]pyrrolidin-2-one has a molecular weight of 482.60 g/mol, XLogP of 2.85, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoro-4-methylsulfonylphenoxy)-1-[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]pyrrolidin-2-one is sourced from PubChem (CID 90388879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).