N-[3,5-dichloro-4-[2-(difluoromethoxy)phenyl]phenyl]-2-(4-methylsulfinylphenyl)acetamide

C22H17Cl2F2NO3S — CID 144540060

IUPACN-[3,5-dichloro-4-[2-(difluoromethoxy)phenyl]phenyl]-2-(4-methylsulfinylphenyl)acetamide
SMILESCS(=O)c1ccc(CC(=O)Nc2cc(Cl)c(-c3ccccc3OC(F)F)c(Cl)c2)cc1
InChIInChI=1S/C22H17Cl2F2NO3S/c1-31(29)15-8-6-13(7-9-15)10-20(28)27-14-11-17(23)21(18(24)12-14)16-4-2-3-5-19(16)30-22(25)26/h2-9,11-12,22H,10H2,1H3,(H,27,28)
InChIKeyIPHTUSISXKTANX-UHFFFAOYSA-N
MW484.35 g/mol
LogP6.18
Rot. Bonds7

About N-[3,5-dichloro-4-[2-(difluoromethoxy)phenyl]phenyl]-2-(4-methylsulfinylphenyl)acetamide

N-[3,5-dichloro-4-[2-(difluoromethoxy)phenyl]phenyl]-2-(4-methylsulfinylphenyl)acetamide (PubChem CID 144540060) has the molecular formula C22H17Cl2F2NO3S and a molecular weight of 484.35 g/mol. Its IUPAC name is N-[3,5-dichloro-4-[2-(difluoromethoxy)phenyl]phenyl]-2-(4-methylsulfinylphenyl)acetamide.

Molecular Properties

Compound NameN-[3,5-dichloro-4-[2-(difluoromethoxy)phenyl]phenyl]-2-(4-methylsulfinylphenyl)acetamide
PubChem CID144540060
Molecular FormulaC22H17Cl2F2NO3S
Molecular Weight484.35 g/mol
Exact Mass483.03
IUPAC NameN-[3,5-dichloro-4-[2-(difluoromethoxy)phenyl]phenyl]-2-(4-methylsulfinylphenyl)acetamide
SMILESCS(=O)c1ccc(CC(=O)Nc2cc(Cl)c(-c3ccccc3OC(F)F)c(Cl)c2)cc1
InChIInChI=1S/C22H17Cl2F2NO3S/c1-31(29)15-8-6-13(7-9-15)10-20(28)27-14-11-17(23)21(18(24)12-14)16-4-2-3-5-19(16)30-22(25)26/h2-9,11-12,22H,10H2,1H3,(H,27,28)
InChIKeyIPHTUSISXKTANX-UHFFFAOYSA-N
XLogP6.18
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.35
LogP ≤ 56.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[3,5-dichloro-4-[2-(difluoromethoxy)phenyl]phenyl]-2-(4-methylsulfinylphenyl)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-[4-[2-(difluoromethoxy)phenyl]-3,5-difluorophenyl]-2-(4-ethylsulfonylphenyl)acetamide
CID 71285710
N-[3-chloro-4-(difluoromethoxy)phenyl]-2-(4-fluorophenyl)acetamide
CID 4842173
3-[4-[[[3,5-dichloro-4-[2-(difluoromethoxy)phenyl]phenyl]carbamoylamino]methyl]phenyl]propanoic acid
CID 138583918
4-[4-[[[3,5-dichloro-4-[2-(difluoromethoxy)phenyl]phenyl]carbamoylamino]methyl]phenyl]butanoic acid
CID 138583980
N-[3-chloro-4-(difluoromethoxy)phenyl]-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide
CID 46576758
N-[3-chloro-5-cyano-4-[2-(trifluoromethoxy)phenyl]phenyl]-2-(4-methylsulfonylphenyl)acetamide
CID 71284000
N-[3-(difluoromethoxy)-4-methoxyphenyl]-2-(4-phenylphenyl)acetamide
CID 46540426
N-[4-(difluoromethoxy)-3-(4-methoxyphenyl)phenyl]-2-(4-fluorophenyl)acetamide
CID 46813370
2-chloro-N-[3-chloro-4-(difluoromethoxy)phenyl]acetamide
CID 4885557
[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 2-(3,4-dichlorophenyl)acetate
CID 7724605
N-[3-chloro-4-(difluoromethoxy)phenyl]-3-(1,3-dioxoisoindol-2-yl)propanamide
CID 8892189
[2-(3-chloro-4-fluoroanilino)-2-oxoethyl] 2-(difluoromethoxy)benzoate
CID 2691735

Frequently Asked Questions

What is the IUPAC name of N-[3,5-dichloro-4-[2-(difluoromethoxy)phenyl]phenyl]-2-(4-methylsulfinylphenyl)acetamide?
The IUPAC name of N-[3,5-dichloro-4-[2-(difluoromethoxy)phenyl]phenyl]-2-(4-methylsulfinylphenyl)acetamide (CID 144540060) is N-[3,5-dichloro-4-[2-(difluoromethoxy)phenyl]phenyl]-2-(4-methylsulfinylphenyl)acetamide.
What is the SMILES notation for N-[3,5-dichloro-4-[2-(difluoromethoxy)phenyl]phenyl]-2-(4-methylsulfinylphenyl)acetamide?
The canonical SMILES for N-[3,5-dichloro-4-[2-(difluoromethoxy)phenyl]phenyl]-2-(4-methylsulfinylphenyl)acetamide is CS(=O)c1ccc(CC(=O)Nc2cc(Cl)c(-c3ccccc3OC(F)F)c(Cl)c2)cc1.
What is the InChIKey of N-[3,5-dichloro-4-[2-(difluoromethoxy)phenyl]phenyl]-2-(4-methylsulfinylphenyl)acetamide?
The InChIKey is IPHTUSISXKTANX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17Cl2F2NO3S/c1-31(29)15-8-6-13(7-9-15)10-20(28)27-14-11-17(23)21(18(24)12-14)16-4-2-3-5-19(16)30-22(25)26/h2-9,11-12,22H,10H2,1H3,(H,27,28).
What are the key properties of N-[3,5-dichloro-4-[2-(difluoromethoxy)phenyl]phenyl]-2-(4-methylsulfinylphenyl)acetamide?
N-[3,5-dichloro-4-[2-(difluoromethoxy)phenyl]phenyl]-2-(4-methylsulfinylphenyl)acetamide has a molecular weight of 484.35 g/mol, XLogP of 6.18, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,5-dichloro-4-[2-(difluoromethoxy)phenyl]phenyl]-2-(4-methylsulfinylphenyl)acetamide is sourced from PubChem (CID 144540060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).