N-[3,5-dichloro-4-[1-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)cyclopropyl]phenyl]-2-(4-ethylsulfanylphenyl)acetamide

C26H22Cl2N4O2S — CID 134180127

IUPACN-[3,5-dichloro-4-[1-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)cyclopropyl]phenyl]-2-(4-ethylsulfanylphenyl)acetamide
SMILESCCSc1ccc(CC(=O)Nc2cc(Cl)c(C3(c4noc(-c5cccnc5)n4)CC3)c(Cl)c2)cc1
InChIInChI=1S/C26H22Cl2N4O2S/c1-2-35-19-7-5-16(6-8-19)12-22(33)30-18-13-20(27)23(21(28)14-18)26(9-10-26)25-31-24(34-32-25)17-4-3-11-29-15-17/h3-8,11,13-15H,2,9-10,12H2,1H3,(H,30,33)
InChIKeyINFOGOLJPDRTDK-UHFFFAOYSA-N
MW525.46 g/mol
LogP6.81
Rot. Bonds8

About N-[3,5-dichloro-4-[1-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)cyclopropyl]phenyl]-2-(4-ethylsulfanylphenyl)acetamide

N-[3,5-dichloro-4-[1-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)cyclopropyl]phenyl]-2-(4-ethylsulfanylphenyl)acetamide (PubChem CID 134180127) has the molecular formula C26H22Cl2N4O2S and a molecular weight of 525.46 g/mol. Its IUPAC name is N-[3,5-dichloro-4-[1-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)cyclopropyl]phenyl]-2-(4-ethylsulfanylphenyl)acetamide.

Molecular Properties

Compound NameN-[3,5-dichloro-4-[1-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)cyclopropyl]phenyl]-2-(4-ethylsulfanylphenyl)acetamide
PubChem CID134180127
Molecular FormulaC26H22Cl2N4O2S
Molecular Weight525.46 g/mol
Exact Mass524.08
IUPAC NameN-[3,5-dichloro-4-[1-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)cyclopropyl]phenyl]-2-(4-ethylsulfanylphenyl)acetamide
SMILESCCSc1ccc(CC(=O)Nc2cc(Cl)c(C3(c4noc(-c5cccnc5)n4)CC3)c(Cl)c2)cc1
InChIInChI=1S/C26H22Cl2N4O2S/c1-2-35-19-7-5-16(6-8-19)12-22(33)30-18-13-20(27)23(21(28)14-18)26(9-10-26)25-31-24(34-32-25)17-4-3-11-29-15-17/h3-8,11,13-15H,2,9-10,12H2,1H3,(H,30,33)
InChIKeyINFOGOLJPDRTDK-UHFFFAOYSA-N
XLogP6.81
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.46
LogP ≤ 56.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3,5-dichloro-4-[1-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]cyclopropyl]phenyl]-2-(4-ethylsulfanylphenyl)acetamide
CID 146433984
1-[3,5-dichloro-4-[1-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)cyclopropyl]phenyl]-3-(4-ethylsulfonylphenyl)propan-2-one
CID 158371881
N-[3,5-dichloro-4-[1-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]cyclopropyl]phenyl]-2-(5-ethylsulfanylindazol-1-yl)acetamide
CID 134176224
2-[4-(cyclopropylamino)sulfanylphenyl]-N-[3,5-dichloro-4-[1-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]cyclopropyl]phenyl]acetamide
CID 134179939
N-[3,5-dichloro-4-[1-[5-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]cyclopropyl]phenyl]-2-(4-ethylsulfonylphenyl)acetamide
CID 134179711
2-(4-ethylsulfanylphenyl)-N-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)acetamide
CID 18586867
1-[4-[2-[3,5-dichloro-4-[1-[5-(2,4-dichlorophenyl)-1,2,4-oxadiazol-3-yl]cyclopropyl]anilino]-2-oxoethyl]phenyl]ethanesulfinic acid
CID 138621219
N-[3-chloro-5-fluoro-4-[1-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]cyclopropyl]phenyl]-2-(4-ethylsulfonylphenyl)acetamide
CID 134179908
1-[4-[2-[3-chloro-5-fluoro-4-[1-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]cyclopropyl]anilino]-2-oxoethyl]phenyl]ethanesulfinate
CID 138621318
N-[3,5-dichloro-4-[1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)cyclopropyl]phenyl]-2-[4-ethylsulfanyl-N-(oxetan-3-yl)anilino]acetamide
CID 134176546
N-(3,5-dichlorophenyl)-2-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)acetamide
CID 27211727
2-(4-ethylsulfanylphenyl)-N-[4-pyridin-3-yl-3-(trifluoromethyl)phenyl]acetamide
CID 144539996

Frequently Asked Questions

What is the IUPAC name of N-[3,5-dichloro-4-[1-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)cyclopropyl]phenyl]-2-(4-ethylsulfanylphenyl)acetamide?
The IUPAC name of N-[3,5-dichloro-4-[1-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)cyclopropyl]phenyl]-2-(4-ethylsulfanylphenyl)acetamide (CID 134180127) is N-[3,5-dichloro-4-[1-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)cyclopropyl]phenyl]-2-(4-ethylsulfanylphenyl)acetamide.
What is the SMILES notation for N-[3,5-dichloro-4-[1-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)cyclopropyl]phenyl]-2-(4-ethylsulfanylphenyl)acetamide?
The canonical SMILES for N-[3,5-dichloro-4-[1-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)cyclopropyl]phenyl]-2-(4-ethylsulfanylphenyl)acetamide is CCSc1ccc(CC(=O)Nc2cc(Cl)c(C3(c4noc(-c5cccnc5)n4)CC3)c(Cl)c2)cc1.
What is the InChIKey of N-[3,5-dichloro-4-[1-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)cyclopropyl]phenyl]-2-(4-ethylsulfanylphenyl)acetamide?
The InChIKey is INFOGOLJPDRTDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22Cl2N4O2S/c1-2-35-19-7-5-16(6-8-19)12-22(33)30-18-13-20(27)23(21(28)14-18)26(9-10-26)25-31-24(34-32-25)17-4-3-11-29-15-17/h3-8,11,13-15H,2,9-10,12H2,1H3,(H,30,33).
What are the key properties of N-[3,5-dichloro-4-[1-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)cyclopropyl]phenyl]-2-(4-ethylsulfanylphenyl)acetamide?
N-[3,5-dichloro-4-[1-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)cyclopropyl]phenyl]-2-(4-ethylsulfanylphenyl)acetamide has a molecular weight of 525.46 g/mol, XLogP of 6.81, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,5-dichloro-4-[1-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)cyclopropyl]phenyl]-2-(4-ethylsulfanylphenyl)acetamide is sourced from PubChem (CID 134180127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).