N-[3,5-dichloro-4-[1-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]cyclopropyl]phenyl]-2-(4-ethylsulfonylphenyl)acetamide

C28H23Cl2FN2O4S — CID 134180222

IUPACN-[3,5-dichloro-4-[1-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]cyclopropyl]phenyl]-2-(4-ethylsulfonylphenyl)acetamide
SMILESCCS(=O)(=O)c1ccc(CC(=O)Nc2cc(Cl)c(C3(c4ncc(-c5ccc(F)cc5)o4)CC3)c(Cl)c2)cc1
InChIInChI=1S/C28H23Cl2FN2O4S/c1-2-38(35,36)21-9-3-17(4-10-21)13-25(34)33-20-14-22(29)26(23(30)15-20)28(11-12-28)27-32-16-24(37-27)18-5-7-19(31)8-6-18/h3-10,14-16H,2,11-13H2,1H3,(H,33,34)
InChIKeyLBAAAYGZUHADFO-UHFFFAOYSA-N
MW573.47 g/mol
LogP6.84
Rot. Bonds8

About N-[3,5-dichloro-4-[1-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]cyclopropyl]phenyl]-2-(4-ethylsulfonylphenyl)acetamide

N-[3,5-dichloro-4-[1-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]cyclopropyl]phenyl]-2-(4-ethylsulfonylphenyl)acetamide (PubChem CID 134180222) has the molecular formula C28H23Cl2FN2O4S and a molecular weight of 573.47 g/mol. Its IUPAC name is N-[3,5-dichloro-4-[1-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]cyclopropyl]phenyl]-2-(4-ethylsulfonylphenyl)acetamide.

Molecular Properties

Compound NameN-[3,5-dichloro-4-[1-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]cyclopropyl]phenyl]-2-(4-ethylsulfonylphenyl)acetamide
PubChem CID134180222
Molecular FormulaC28H23Cl2FN2O4S
Molecular Weight573.47 g/mol
Exact Mass572.07
IUPAC NameN-[3,5-dichloro-4-[1-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]cyclopropyl]phenyl]-2-(4-ethylsulfonylphenyl)acetamide
SMILESCCS(=O)(=O)c1ccc(CC(=O)Nc2cc(Cl)c(C3(c4ncc(-c5ccc(F)cc5)o4)CC3)c(Cl)c2)cc1
InChIInChI=1S/C28H23Cl2FN2O4S/c1-2-38(35,36)21-9-3-17(4-10-21)13-25(34)33-20-14-22(29)26(23(30)15-20)28(11-12-28)27-32-16-24(37-27)18-5-7-19(31)8-6-18/h3-10,14-16H,2,11-13H2,1H3,(H,33,34)
InChIKeyLBAAAYGZUHADFO-UHFFFAOYSA-N
XLogP6.84
TPSA89.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500573.47
LogP ≤ 56.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[3,5-dichloro-4-[1-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]cyclopropyl]phenyl]-2-(4-ethylsulfonylphenyl)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-[3,5-dichloro-4-[1-[3-(3-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]cyclopropyl]phenyl]-2-(4-ethylsulfonylphenyl)acetamide
CID 134179745
N-[3-chloro-5-fluoro-4-[1-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]cyclopropyl]phenyl]-2-(4-ethylsulfonylphenyl)acetamide
CID 134179908
N-[3,5-dichloro-4-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]cyclopropyl]phenyl]-2-(4-ethylsulfonylphenyl)acetamide
CID 134179744
N-[3,5-dichloro-4-[1-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]cyclopropyl]phenyl]-2-(4-ethylsulfonylphenyl)acetamide
CID 134180197
N-[3,5-dichloro-4-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)cyclopropyl]phenyl]-2-(4-ethylsulfonylphenyl)acetamide
CID 134180171
N-[3,5-dichloro-4-[1-[5-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]cyclopropyl]phenyl]-2-(4-ethylsulfonylphenyl)acetamide
CID 134179711
3,5-dichloro-4-[1-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]cyclopropyl]aniline
CID 134180119
N-[3,5-difluoro-4-[1-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]cyclopropyl]phenyl]-2-(4-ethylsulfonylphenyl)acetamide
CID 134179719
1-[3,5-dichloro-4-[1-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]cyclopropyl]phenyl]-3-(4-ethylsulfonylphenyl)urea
CID 135364002
N-[3,5-dichloro-4-[1-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]cyclopropyl]phenyl]-2-[(5-ethylsulfonyl-2-pyridinyl)-methylamino]acetamide
CID 134176149
N-[3,5-dichloro-4-[1-[6-(trifluoromethyl)-1,3-benzoxazol-2-yl]cyclopropyl]phenyl]-2-(5-ethylsulfonyl-2-pyridinyl)acetamide
CID 134180210
N-[3,5-dichloro-4-[1-(6-fluoro-1,3-benzoxazol-2-yl)cyclobutyl]phenyl]-2-[4-ethylsulfonyl-N-(2,2,2-trifluoroethyl)anilino]acetamide
CID 134176527

Frequently Asked Questions

What is the IUPAC name of N-[3,5-dichloro-4-[1-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]cyclopropyl]phenyl]-2-(4-ethylsulfonylphenyl)acetamide?
The IUPAC name of N-[3,5-dichloro-4-[1-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]cyclopropyl]phenyl]-2-(4-ethylsulfonylphenyl)acetamide (CID 134180222) is N-[3,5-dichloro-4-[1-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]cyclopropyl]phenyl]-2-(4-ethylsulfonylphenyl)acetamide.
What is the SMILES notation for N-[3,5-dichloro-4-[1-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]cyclopropyl]phenyl]-2-(4-ethylsulfonylphenyl)acetamide?
The canonical SMILES for N-[3,5-dichloro-4-[1-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]cyclopropyl]phenyl]-2-(4-ethylsulfonylphenyl)acetamide is CCS(=O)(=O)c1ccc(CC(=O)Nc2cc(Cl)c(C3(c4ncc(-c5ccc(F)cc5)o4)CC3)c(Cl)c2)cc1.
What is the InChIKey of N-[3,5-dichloro-4-[1-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]cyclopropyl]phenyl]-2-(4-ethylsulfonylphenyl)acetamide?
The InChIKey is LBAAAYGZUHADFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23Cl2FN2O4S/c1-2-38(35,36)21-9-3-17(4-10-21)13-25(34)33-20-14-22(29)26(23(30)15-20)28(11-12-28)27-32-16-24(37-27)18-5-7-19(31)8-6-18/h3-10,14-16H,2,11-13H2,1H3,(H,33,34).
What are the key properties of N-[3,5-dichloro-4-[1-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]cyclopropyl]phenyl]-2-(4-ethylsulfonylphenyl)acetamide?
N-[3,5-dichloro-4-[1-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]cyclopropyl]phenyl]-2-(4-ethylsulfonylphenyl)acetamide has a molecular weight of 573.47 g/mol, XLogP of 6.84, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,5-dichloro-4-[1-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]cyclopropyl]phenyl]-2-(4-ethylsulfonylphenyl)acetamide is sourced from PubChem (CID 134180222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).