N-[2,4-dichloro-3-(3-fluoro-5-propan-2-ylphenoxy)phenyl]-2-(1-methylsulfonylpiperidin-4-yl)acetamide

C23H27Cl2FN2O4S — CID 155781880

IUPACN-[2,4-dichloro-3-(3-fluoro-5-propan-2-ylphenoxy)phenyl]-2-(1-methylsulfonylpiperidin-4-yl)acetamide
SMILESCC(C)c1cc(F)cc(Oc2c(Cl)ccc(NC(=O)CC3CCN(S(C)(=O)=O)CC3)c2Cl)c1
InChIInChI=1S/C23H27Cl2FN2O4S/c1-14(2)16-11-17(26)13-18(12-16)32-23-19(24)4-5-20(22(23)25)27-21(29)10-15-6-8-28(9-7-15)33(3,30)31/h4-5,11-15H,6-10H2,1-3H3,(H,27,29)
InChIKeyPUPDSZPDBQLKAJ-UHFFFAOYSA-N
MW517.45 g/mol
LogP6.05
Rot. Bonds7

About N-[2,4-dichloro-3-(3-fluoro-5-propan-2-ylphenoxy)phenyl]-2-(1-methylsulfonylpiperidin-4-yl)acetamide

N-[2,4-dichloro-3-(3-fluoro-5-propan-2-ylphenoxy)phenyl]-2-(1-methylsulfonylpiperidin-4-yl)acetamide (PubChem CID 155781880) has the molecular formula C23H27Cl2FN2O4S and a molecular weight of 517.45 g/mol. Its IUPAC name is N-[2,4-dichloro-3-(3-fluoro-5-propan-2-ylphenoxy)phenyl]-2-(1-methylsulfonylpiperidin-4-yl)acetamide.

Molecular Properties

Compound NameN-[2,4-dichloro-3-(3-fluoro-5-propan-2-ylphenoxy)phenyl]-2-(1-methylsulfonylpiperidin-4-yl)acetamide
PubChem CID155781880
Molecular FormulaC23H27Cl2FN2O4S
Molecular Weight517.45 g/mol
Exact Mass516.11
IUPAC NameN-[2,4-dichloro-3-(3-fluoro-5-propan-2-ylphenoxy)phenyl]-2-(1-methylsulfonylpiperidin-4-yl)acetamide
SMILESCC(C)c1cc(F)cc(Oc2c(Cl)ccc(NC(=O)CC3CCN(S(C)(=O)=O)CC3)c2Cl)c1
InChIInChI=1S/C23H27Cl2FN2O4S/c1-14(2)16-11-17(26)13-18(12-16)32-23-19(24)4-5-20(22(23)25)27-21(29)10-15-6-8-28(9-7-15)33(3,30)31/h4-5,11-15H,6-10H2,1-3H3,(H,27,29)
InChIKeyPUPDSZPDBQLKAJ-UHFFFAOYSA-N
XLogP6.05
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500517.45
LogP ≤ 56.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2,4-dichloro-3-(3-fluoro-5-propan-2-ylphenoxy)phenyl]-2-(1-methylsulfonylpiperidin-4-yl)acetamide 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

N-[[2,4-dichloro-3-(4-methoxy-3-propan-2-ylphenoxy)phenyl]methyl]-2-(1-methylsulfonylpiperidin-4-yl)acetamide
CID 165166285
N-[3,5-dichloro-4-(3-fluoro-5-propan-2-ylphenoxy)phenyl]-2-(2,6-dioxopiperidin-4-yl)acetamide
CID 165166290
2-(1-cyclopropylsulfonylpiperidin-4-yl)-N-[3,5-dichloro-4-(4-methoxy-3-propan-2-ylphenoxy)phenyl]acetamide
CID 155781904
3-[2,4-dichloro-3-(4-methoxy-3-propan-2-ylphenoxy)phenyl]-1-(1-methylsulfonylpiperidin-4-yl)propan-1-one
CID 167634205
N-[(2-chloro-4-fluorophenyl)methyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 3236011
[2,4-dichloro-3-[3-fluoro-5-(3,3,3-trifluoropropyl)phenoxy]phenyl]-(2-methylsulfonyl-2,7-diazaspiro[3.5]nonan-7-yl)methanone
CID 155781692
2,4-dichloro-N-[(1-ethylsulfonylpiperidin-4-yl)methyl]-3-(4-methoxy-3-propan-2-ylphenoxy)benzamide
CID 155781681
2-[1-(benzenesulfonyl)piperidin-4-yl]-N-(2,4-dimethylphenyl)acetamide
CID 110355965
N-(2-chloro-4-fluorophenyl)-2-(4-propan-2-ylphenoxy)acetamide
CID 26216318
(2S)-2-(2,4-dichlorophenoxy)-N-[(1-methylsulfonylpiperidin-4-yl)methyl]propanamide
CID 97064260
2,4-dichloro-3-[3-fluoro-5-(1,1,1-trifluoropropan-2-yl)phenoxy]-N-[(4-sulfamoylphenyl)methyl]benzamide
CID 165166272
N-[(1R)-1-(3,4-dichlorophenyl)ethyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 30207052

Frequently Asked Questions

What is the IUPAC name of N-[2,4-dichloro-3-(3-fluoro-5-propan-2-ylphenoxy)phenyl]-2-(1-methylsulfonylpiperidin-4-yl)acetamide?
The IUPAC name of N-[2,4-dichloro-3-(3-fluoro-5-propan-2-ylphenoxy)phenyl]-2-(1-methylsulfonylpiperidin-4-yl)acetamide (CID 155781880) is N-[2,4-dichloro-3-(3-fluoro-5-propan-2-ylphenoxy)phenyl]-2-(1-methylsulfonylpiperidin-4-yl)acetamide.
What is the SMILES notation for N-[2,4-dichloro-3-(3-fluoro-5-propan-2-ylphenoxy)phenyl]-2-(1-methylsulfonylpiperidin-4-yl)acetamide?
The canonical SMILES for N-[2,4-dichloro-3-(3-fluoro-5-propan-2-ylphenoxy)phenyl]-2-(1-methylsulfonylpiperidin-4-yl)acetamide is CC(C)c1cc(F)cc(Oc2c(Cl)ccc(NC(=O)CC3CCN(S(C)(=O)=O)CC3)c2Cl)c1.
What is the InChIKey of N-[2,4-dichloro-3-(3-fluoro-5-propan-2-ylphenoxy)phenyl]-2-(1-methylsulfonylpiperidin-4-yl)acetamide?
The InChIKey is PUPDSZPDBQLKAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27Cl2FN2O4S/c1-14(2)16-11-17(26)13-18(12-16)32-23-19(24)4-5-20(22(23)25)27-21(29)10-15-6-8-28(9-7-15)33(3,30)31/h4-5,11-15H,6-10H2,1-3H3,(H,27,29).
What are the key properties of N-[2,4-dichloro-3-(3-fluoro-5-propan-2-ylphenoxy)phenyl]-2-(1-methylsulfonylpiperidin-4-yl)acetamide?
N-[2,4-dichloro-3-(3-fluoro-5-propan-2-ylphenoxy)phenyl]-2-(1-methylsulfonylpiperidin-4-yl)acetamide has a molecular weight of 517.45 g/mol, XLogP of 6.05, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,4-dichloro-3-(3-fluoro-5-propan-2-ylphenoxy)phenyl]-2-(1-methylsulfonylpiperidin-4-yl)acetamide is sourced from PubChem (CID 155781880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).