N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-methylphenyl]-2-(4-fluorophenyl)butanamide

C20H23FN2O3S — CID 110353588

IUPACN-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-methylphenyl]-2-(4-fluorophenyl)butanamide
SMILESCCC(C(=O)Nc1ccc(N2CCCS2(=O)=O)c(C)c1)c1ccc(F)cc1
InChIInChI=1S/C20H23FN2O3S/c1-3-18(15-5-7-16(21)8-6-15)20(24)22-17-9-10-19(14(2)13-17)23-11-4-12-27(23,25)26/h5-10,13,18H,3-4,11-12H2,1-2H3,(H,22,24)
InChIKeyOCJWQYZTZXERMQ-UHFFFAOYSA-N
MW390.48 g/mol
LogP3.81
Rot. Bonds5

About N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-methylphenyl]-2-(4-fluorophenyl)butanamide

N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-methylphenyl]-2-(4-fluorophenyl)butanamide (PubChem CID 110353588) has the molecular formula C20H23FN2O3S and a molecular weight of 390.48 g/mol. Its IUPAC name is N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-methylphenyl]-2-(4-fluorophenyl)butanamide.

Molecular Properties

Compound NameN-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-methylphenyl]-2-(4-fluorophenyl)butanamide
PubChem CID110353588
Molecular FormulaC20H23FN2O3S
Molecular Weight390.48 g/mol
Exact Mass390.14
IUPAC NameN-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-methylphenyl]-2-(4-fluorophenyl)butanamide
SMILESCCC(C(=O)Nc1ccc(N2CCCS2(=O)=O)c(C)c1)c1ccc(F)cc1
InChIInChI=1S/C20H23FN2O3S/c1-3-18(15-5-7-16(21)8-6-15)20(24)22-17-9-10-19(14(2)13-17)23-11-4-12-27(23,25)26/h5-10,13,18H,3-4,11-12H2,1-2H3,(H,22,24)
InChIKeyOCJWQYZTZXERMQ-UHFFFAOYSA-N
XLogP3.81
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 ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(1,1-dioxothiazinan-2-yl)phenyl]-2-(4-fluorophenyl)butanamide
CID 110353565
2-cyclopentyl-N-[4-(1,1-dioxothiazinan-2-yl)-3-methylphenyl]propanamide
CID 110353562
[1-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-methylanilino]-1-oxopentan-2-yl] N-(4-chlorophenyl)carbamate
CID 10277459
N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-methylphenyl]pyridine-4-carboxamide
CID 112505754
2-chloro-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-methylphenyl]-6-fluorobenzamide
CID 112505756
N-[4-(1,1-dioxothiazinan-2-yl)-3-methylphenyl]-3-(4-methylphenyl)propanamide
CID 110303556
ethyl 2-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-methylanilino]-2-oxoacetate
CID 112505824
N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-(4-fluorophenyl)butanamide
CID 110312880
N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-3-(4-fluorophenyl)-2-methylpropanamide
CID 110302299
2-amino-N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-methylphenyl]-2-methylpentanamide
CID 119798780
N-[4-(1,1-dioxothiazinan-2-yl)-3-methylphenyl]-3-(furan-2-yl)propanamide
CID 110303557
4-amino-N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-methylphenyl]pentanamide
CID 120563198

Frequently Asked Questions

What is the IUPAC name of N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-methylphenyl]-2-(4-fluorophenyl)butanamide?
The IUPAC name of N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-methylphenyl]-2-(4-fluorophenyl)butanamide (CID 110353588) is N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-methylphenyl]-2-(4-fluorophenyl)butanamide.
What is the SMILES notation for N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-methylphenyl]-2-(4-fluorophenyl)butanamide?
The canonical SMILES for N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-methylphenyl]-2-(4-fluorophenyl)butanamide is CCC(C(=O)Nc1ccc(N2CCCS2(=O)=O)c(C)c1)c1ccc(F)cc1.
What is the InChIKey of N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-methylphenyl]-2-(4-fluorophenyl)butanamide?
The InChIKey is OCJWQYZTZXERMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O3S/c1-3-18(15-5-7-16(21)8-6-15)20(24)22-17-9-10-19(14(2)13-17)23-11-4-12-27(23,25)26/h5-10,13,18H,3-4,11-12H2,1-2H3,(H,22,24).
What are the key properties of N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-methylphenyl]-2-(4-fluorophenyl)butanamide?
N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-methylphenyl]-2-(4-fluorophenyl)butanamide has a molecular weight of 390.48 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-methylphenyl]-2-(4-fluorophenyl)butanamide is sourced from PubChem (CID 110353588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).