N-[3-(1,1-dioxothiazinan-2-yl)phenyl]-2-(4-fluorophenyl)butanamide

C20H23FN2O3S — CID 110353565

IUPACN-[3-(1,1-dioxothiazinan-2-yl)phenyl]-2-(4-fluorophenyl)butanamide
SMILESCCC(C(=O)Nc1cccc(N2CCCCS2(=O)=O)c1)c1ccc(F)cc1
InChIInChI=1S/C20H23FN2O3S/c1-2-19(15-8-10-16(21)11-9-15)20(24)22-17-6-5-7-18(14-17)23-12-3-4-13-27(23,25)26/h5-11,14,19H,2-4,12-13H2,1H3,(H,22,24)
InChIKeyPIGDYRFSZMSOKV-UHFFFAOYSA-N
MW390.48 g/mol
LogP3.89
Rot. Bonds5

About N-[3-(1,1-dioxothiazinan-2-yl)phenyl]-2-(4-fluorophenyl)butanamide

N-[3-(1,1-dioxothiazinan-2-yl)phenyl]-2-(4-fluorophenyl)butanamide (PubChem CID 110353565) has the molecular formula C20H23FN2O3S and a molecular weight of 390.48 g/mol. Its IUPAC name is N-[3-(1,1-dioxothiazinan-2-yl)phenyl]-2-(4-fluorophenyl)butanamide.

Molecular Properties

Compound NameN-[3-(1,1-dioxothiazinan-2-yl)phenyl]-2-(4-fluorophenyl)butanamide
PubChem CID110353565
Molecular FormulaC20H23FN2O3S
Molecular Weight390.48 g/mol
Exact Mass390.14
IUPAC NameN-[3-(1,1-dioxothiazinan-2-yl)phenyl]-2-(4-fluorophenyl)butanamide
SMILESCCC(C(=O)Nc1cccc(N2CCCCS2(=O)=O)c1)c1ccc(F)cc1
InChIInChI=1S/C20H23FN2O3S/c1-2-19(15-8-10-16(21)11-9-15)20(24)22-17-6-5-7-18(14-17)23-12-3-4-13-27(23,25)26/h5-11,14,19H,2-4,12-13H2,1H3,(H,22,24)
InChIKeyPIGDYRFSZMSOKV-UHFFFAOYSA-N
XLogP3.89
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.48
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-methylphenyl]-2-(4-fluorophenyl)butanamide
CID 110353588
N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-(4-fluorophenyl)butanamide
CID 110312880
(2R)-2-amino-N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]propanamide
CID 119289907
N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2-(4-fluorophenoxy)acetamide
CID 7638801
3-(1,1-dioxothiazinan-2-yl)-N-(4-fluorophenyl)benzamide
CID 7686047
N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]butanamide
CID 7638744
2-amino-N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-methoxypropanamide
CID 120985942
3-(4-chlorophenyl)-N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2-methylpropanamide
CID 110302278
N-[3-(1,1-dioxothiazinan-2-yl)phenyl]prop-2-enamide
CID 166415169
4-tert-butyl-N-[3-(1,1-dioxothiazinan-2-yl)phenyl]benzamide
CID 112505496
2-(3-fluorophenyl)thiazinane 1,1-dioxide
CID 82081520
N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-(3-fluorophenyl)propanamide
CID 110621350

Frequently Asked Questions

What is the IUPAC name of N-[3-(1,1-dioxothiazinan-2-yl)phenyl]-2-(4-fluorophenyl)butanamide?
The IUPAC name of N-[3-(1,1-dioxothiazinan-2-yl)phenyl]-2-(4-fluorophenyl)butanamide (CID 110353565) is N-[3-(1,1-dioxothiazinan-2-yl)phenyl]-2-(4-fluorophenyl)butanamide.
What is the SMILES notation for N-[3-(1,1-dioxothiazinan-2-yl)phenyl]-2-(4-fluorophenyl)butanamide?
The canonical SMILES for N-[3-(1,1-dioxothiazinan-2-yl)phenyl]-2-(4-fluorophenyl)butanamide is CCC(C(=O)Nc1cccc(N2CCCCS2(=O)=O)c1)c1ccc(F)cc1.
What is the InChIKey of N-[3-(1,1-dioxothiazinan-2-yl)phenyl]-2-(4-fluorophenyl)butanamide?
The InChIKey is PIGDYRFSZMSOKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O3S/c1-2-19(15-8-10-16(21)11-9-15)20(24)22-17-6-5-7-18(14-17)23-12-3-4-13-27(23,25)26/h5-11,14,19H,2-4,12-13H2,1H3,(H,22,24).
What are the key properties of N-[3-(1,1-dioxothiazinan-2-yl)phenyl]-2-(4-fluorophenyl)butanamide?
N-[3-(1,1-dioxothiazinan-2-yl)phenyl]-2-(4-fluorophenyl)butanamide has a molecular weight of 390.48 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1,1-dioxothiazinan-2-yl)phenyl]-2-(4-fluorophenyl)butanamide is sourced from PubChem (CID 110353565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).