N-[4-[1-(3,4-difluorophenyl)sulfanylcyclopropyl]phenyl]-2-(4-ethylsulfanylphenyl)acetamide

C25H23F2NOS2 — CID 145232101

IUPACN-[4-[1-(3,4-difluorophenyl)sulfanylcyclopropyl]phenyl]-2-(4-ethylsulfanylphenyl)acetamide
SMILESCCSc1ccc(CC(=O)Nc2ccc(C3(Sc4ccc(F)c(F)c4)CC3)cc2)cc1
InChIInChI=1S/C25H23F2NOS2/c1-2-30-20-9-3-17(4-10-20)15-24(29)28-19-7-5-18(6-8-19)25(13-14-25)31-21-11-12-22(26)23(27)16-21/h3-12,16H,2,13-15H2,1H3,(H,28,29)
InChIKeyWBUGHDCVWHNHQW-UHFFFAOYSA-N
MW455.60 g/mol
LogP7.04
Rot. Bonds8

About N-[4-[1-(3,4-difluorophenyl)sulfanylcyclopropyl]phenyl]-2-(4-ethylsulfanylphenyl)acetamide

N-[4-[1-(3,4-difluorophenyl)sulfanylcyclopropyl]phenyl]-2-(4-ethylsulfanylphenyl)acetamide (PubChem CID 145232101) has the molecular formula C25H23F2NOS2 and a molecular weight of 455.60 g/mol. Its IUPAC name is N-[4-[1-(3,4-difluorophenyl)sulfanylcyclopropyl]phenyl]-2-(4-ethylsulfanylphenyl)acetamide.

Molecular Properties

Compound NameN-[4-[1-(3,4-difluorophenyl)sulfanylcyclopropyl]phenyl]-2-(4-ethylsulfanylphenyl)acetamide
PubChem CID145232101
Molecular FormulaC25H23F2NOS2
Molecular Weight455.60 g/mol
Exact Mass455.12
IUPAC NameN-[4-[1-(3,4-difluorophenyl)sulfanylcyclopropyl]phenyl]-2-(4-ethylsulfanylphenyl)acetamide
SMILESCCSc1ccc(CC(=O)Nc2ccc(C3(Sc4ccc(F)c(F)c4)CC3)cc2)cc1
InChIInChI=1S/C25H23F2NOS2/c1-2-30-20-9-3-17(4-10-20)15-24(29)28-19-7-5-18(6-8-19)25(13-14-25)31-21-11-12-22(26)23(27)16-21/h3-12,16H,2,13-15H2,1H3,(H,28,29)
InChIKeyWBUGHDCVWHNHQW-UHFFFAOYSA-N
XLogP7.04
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.60
LogP ≤ 57.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-ethylsulfanylphenyl)-N-[4-[1-(1H-pyrazol-4-ylsulfanyl)cyclopropyl]phenyl]acetamide
CID 145231975
ethane;2-(4-ethylsulfanylphenyl)-N-[4-[1-[(6-methyl-3-pyridinyl)sulfanyl]cyclopropyl]phenyl]acetamide
CID 145232252
N-[4-[4-(3,4-difluorophenyl)oxan-4-yl]oxyphenyl]-2-(4-ethylsulfanylphenyl)acetamide
CID 144946627
N-(4-ethyl-3-fluorophenyl)-2-(4-ethylsulfanylphenyl)acetamide
CID 123212321
4-amino-2-(4-ethylsulfanylphenyl)-N-[4-[1-(4-fluorophenyl)sulfanylcyclopropyl]phenyl]butanamide
CID 145232277
2-(4-ethylsulfanylphenyl)-N-[3-fluoro-4-(2-methyl-1-oxopropan-2-yl)phenyl]acetamide
CID 145232045
N-[4-[4-(2,4-dichlorophenyl)oxan-4-yl]oxyphenyl]-2-(4-ethylsulfanylphenyl)acetamide
CID 145196894
N-[4-[1-(3,4-difluorophenyl)cyclobutyl]oxyphenyl]-2-(4-ethylsulfonylphenyl)acetamide
CID 118455928
2-(4-ethylsulfanylphenyl)-N-[4-[1-(4-fluorophenyl)-2-methyl-1-oxopropan-2-yl]phenyl]acetamide
CID 145231841
N-[3-(3-chlorophenoxy)-4-(3,4-difluorophenyl)phenyl]-2-(4-ethylsulfanylphenyl)acetamide
CID 123750729
N-[4-[2-(2,4-dichlorophenyl)propan-2-yloxy]phenyl]-2-(4-ethylsulfanylphenyl)acetamide
CID 123763842
N-[4-[2-(2,4-dichlorophenyl)propan-2-yloxy]-3-fluorophenyl]-2-(4-ethylsulfanylphenyl)acetamide
CID 145196889

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(3,4-difluorophenyl)sulfanylcyclopropyl]phenyl]-2-(4-ethylsulfanylphenyl)acetamide?
The IUPAC name of N-[4-[1-(3,4-difluorophenyl)sulfanylcyclopropyl]phenyl]-2-(4-ethylsulfanylphenyl)acetamide (CID 145232101) is N-[4-[1-(3,4-difluorophenyl)sulfanylcyclopropyl]phenyl]-2-(4-ethylsulfanylphenyl)acetamide.
What is the SMILES notation for N-[4-[1-(3,4-difluorophenyl)sulfanylcyclopropyl]phenyl]-2-(4-ethylsulfanylphenyl)acetamide?
The canonical SMILES for N-[4-[1-(3,4-difluorophenyl)sulfanylcyclopropyl]phenyl]-2-(4-ethylsulfanylphenyl)acetamide is CCSc1ccc(CC(=O)Nc2ccc(C3(Sc4ccc(F)c(F)c4)CC3)cc2)cc1.
What is the InChIKey of N-[4-[1-(3,4-difluorophenyl)sulfanylcyclopropyl]phenyl]-2-(4-ethylsulfanylphenyl)acetamide?
The InChIKey is WBUGHDCVWHNHQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F2NOS2/c1-2-30-20-9-3-17(4-10-20)15-24(29)28-19-7-5-18(6-8-19)25(13-14-25)31-21-11-12-22(26)23(27)16-21/h3-12,16H,2,13-15H2,1H3,(H,28,29).
What are the key properties of N-[4-[1-(3,4-difluorophenyl)sulfanylcyclopropyl]phenyl]-2-(4-ethylsulfanylphenyl)acetamide?
N-[4-[1-(3,4-difluorophenyl)sulfanylcyclopropyl]phenyl]-2-(4-ethylsulfanylphenyl)acetamide has a molecular weight of 455.60 g/mol, XLogP of 7.04, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-(3,4-difluorophenyl)sulfanylcyclopropyl]phenyl]-2-(4-ethylsulfanylphenyl)acetamide is sourced from PubChem (CID 145232101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).