[(3S)-3-[[1-(6-fluoro-3-methyl-1-benzothiophene-2-carbonyl)azetidin-3-yl]amino]pyrrolidin-1-yl]-phenylmethanone

C24H24FN3O2S — CID 56963077

IUPAC[(3S)-3-[[1-(6-fluoro-3-methyl-1-benzothiophene-2-carbonyl)azetidin-3-yl]amino]pyrrolidin-1-yl]-phenylmethanone
SMILESCc1c(C(=O)N2CC(N[C@H]3CCN(C(=O)c4ccccc4)C3)C2)sc2cc(F)ccc12
InChIInChI=1S/C24H24FN3O2S/c1-15-20-8-7-17(25)11-21(20)31-22(15)24(30)28-13-19(14-28)26-18-9-10-27(12-18)23(29)16-5-3-2-4-6-16/h2-8,11,18-19,26H,9-10,12-14H2,1H3/t18-/m0/s1
InChIKeyCJFOWEWSZWTMPK-SFHVURJKSA-N
MW437.54 g/mol
LogP3.68
Rot. Bonds4

About [(3S)-3-[[1-(6-fluoro-3-methyl-1-benzothiophene-2-carbonyl)azetidin-3-yl]amino]pyrrolidin-1-yl]-phenylmethanone

[(3S)-3-[[1-(6-fluoro-3-methyl-1-benzothiophene-2-carbonyl)azetidin-3-yl]amino]pyrrolidin-1-yl]-phenylmethanone (PubChem CID 56963077) has the molecular formula C24H24FN3O2S and a molecular weight of 437.54 g/mol. Its IUPAC name is [(3S)-3-[[1-(6-fluoro-3-methyl-1-benzothiophene-2-carbonyl)azetidin-3-yl]amino]pyrrolidin-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[(3S)-3-[[1-(6-fluoro-3-methyl-1-benzothiophene-2-carbonyl)azetidin-3-yl]amino]pyrrolidin-1-yl]-phenylmethanone
PubChem CID56963077
Molecular FormulaC24H24FN3O2S
Molecular Weight437.54 g/mol
Exact Mass437.16
IUPAC Name[(3S)-3-[[1-(6-fluoro-3-methyl-1-benzothiophene-2-carbonyl)azetidin-3-yl]amino]pyrrolidin-1-yl]-phenylmethanone
SMILESCc1c(C(=O)N2CC(N[C@H]3CCN(C(=O)c4ccccc4)C3)C2)sc2cc(F)ccc12
InChIInChI=1S/C24H24FN3O2S/c1-15-20-8-7-17(25)11-21(20)31-22(15)24(30)28-13-19(14-28)26-18-9-10-27(12-18)23(29)16-5-3-2-4-6-16/h2-8,11,18-19,26H,9-10,12-14H2,1H3/t18-/m0/s1
InChIKeyCJFOWEWSZWTMPK-SFHVURJKSA-N
XLogP3.68
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.54
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(3S)-3-[[1-(6-fluoro-3-methyl-1-benzothiophene-2-carbonyl)azetidin-3-yl]amino]pyrrolidin-1-yl]-phenylmethanone with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-[[1-(6-fluoro-3-methyl-1-benzothiophene-2-carbonyl)azetidin-3-yl]amino]pyrrolidin-1-yl]-phenylmethanone?
The IUPAC name of [(3S)-3-[[1-(6-fluoro-3-methyl-1-benzothiophene-2-carbonyl)azetidin-3-yl]amino]pyrrolidin-1-yl]-phenylmethanone (CID 56963077) is [(3S)-3-[[1-(6-fluoro-3-methyl-1-benzothiophene-2-carbonyl)azetidin-3-yl]amino]pyrrolidin-1-yl]-phenylmethanone.
What is the SMILES notation for [(3S)-3-[[1-(6-fluoro-3-methyl-1-benzothiophene-2-carbonyl)azetidin-3-yl]amino]pyrrolidin-1-yl]-phenylmethanone?
The canonical SMILES for [(3S)-3-[[1-(6-fluoro-3-methyl-1-benzothiophene-2-carbonyl)azetidin-3-yl]amino]pyrrolidin-1-yl]-phenylmethanone is Cc1c(C(=O)N2CC(N[C@H]3CCN(C(=O)c4ccccc4)C3)C2)sc2cc(F)ccc12.
What is the InChIKey of [(3S)-3-[[1-(6-fluoro-3-methyl-1-benzothiophene-2-carbonyl)azetidin-3-yl]amino]pyrrolidin-1-yl]-phenylmethanone?
The InChIKey is CJFOWEWSZWTMPK-SFHVURJKSA-N. The full InChI is InChI=1S/C24H24FN3O2S/c1-15-20-8-7-17(25)11-21(20)31-22(15)24(30)28-13-19(14-28)26-18-9-10-27(12-18)23(29)16-5-3-2-4-6-16/h2-8,11,18-19,26H,9-10,12-14H2,1H3/t18-/m0/s1.
What are the key properties of [(3S)-3-[[1-(6-fluoro-3-methyl-1-benzothiophene-2-carbonyl)azetidin-3-yl]amino]pyrrolidin-1-yl]-phenylmethanone?
[(3S)-3-[[1-(6-fluoro-3-methyl-1-benzothiophene-2-carbonyl)azetidin-3-yl]amino]pyrrolidin-1-yl]-phenylmethanone has a molecular weight of 437.54 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-[[1-(6-fluoro-3-methyl-1-benzothiophene-2-carbonyl)azetidin-3-yl]amino]pyrrolidin-1-yl]-phenylmethanone is sourced from PubChem (CID 56963077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).