2-(4-ethylsulfanylphenyl)-N-[4-[1-(1H-pyrazol-4-ylsulfanyl)cyclopropyl]phenyl]acetamide

C22H23N3OS2 — CID 145231975

IUPAC2-(4-ethylsulfanylphenyl)-N-[4-[1-(1H-pyrazol-4-ylsulfanyl)cyclopropyl]phenyl]acetamide
SMILESCCSc1ccc(CC(=O)Nc2ccc(C3(Sc4cn[nH]c4)CC3)cc2)cc1
InChIInChI=1S/C22H23N3OS2/c1-2-27-19-9-3-16(4-10-19)13-21(26)25-18-7-5-17(6-8-18)22(11-12-22)28-20-14-23-24-15-20/h3-10,14-15H,2,11-13H2,1H3,(H,23,24)(H,25,26)
InChIKeyRGRDWVWMRDZBCQ-UHFFFAOYSA-N
MW409.58 g/mol
LogP5.48
Rot. Bonds8

About 2-(4-ethylsulfanylphenyl)-N-[4-[1-(1H-pyrazol-4-ylsulfanyl)cyclopropyl]phenyl]acetamide

2-(4-ethylsulfanylphenyl)-N-[4-[1-(1H-pyrazol-4-ylsulfanyl)cyclopropyl]phenyl]acetamide (PubChem CID 145231975) has the molecular formula C22H23N3OS2 and a molecular weight of 409.58 g/mol. Its IUPAC name is 2-(4-ethylsulfanylphenyl)-N-[4-[1-(1H-pyrazol-4-ylsulfanyl)cyclopropyl]phenyl]acetamide.

Molecular Properties

Compound Name2-(4-ethylsulfanylphenyl)-N-[4-[1-(1H-pyrazol-4-ylsulfanyl)cyclopropyl]phenyl]acetamide
PubChem CID145231975
Molecular FormulaC22H23N3OS2
Molecular Weight409.58 g/mol
Exact Mass409.13
IUPAC Name2-(4-ethylsulfanylphenyl)-N-[4-[1-(1H-pyrazol-4-ylsulfanyl)cyclopropyl]phenyl]acetamide
SMILESCCSc1ccc(CC(=O)Nc2ccc(C3(Sc4cn[nH]c4)CC3)cc2)cc1
InChIInChI=1S/C22H23N3OS2/c1-2-27-19-9-3-16(4-10-19)13-21(26)25-18-7-5-17(6-8-18)22(11-12-22)28-20-14-23-24-15-20/h3-10,14-15H,2,11-13H2,1H3,(H,23,24)(H,25,26)
InChIKeyRGRDWVWMRDZBCQ-UHFFFAOYSA-N
XLogP5.48
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.58
LogP ≤ 55.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(4-ethylsulfanylphenyl)-N-[4-[1-(1H-pyrazol-4-ylsulfanyl)cyclopropyl]phenyl]acetamide with MolForge

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Related Compounds

ethane;2-(4-ethylsulfanylphenyl)-N-[4-[1-[(6-methyl-3-pyridinyl)sulfanyl]cyclopropyl]phenyl]acetamide
CID 145232252
N-[4-[1-(3,4-difluorophenyl)sulfanylcyclopropyl]phenyl]-2-(4-ethylsulfanylphenyl)acetamide
CID 145232101
methyl 2-[4-[[2-(4-ethylsulfanylphenyl)acetyl]amino]phenyl]-2-methylpropanoate
CID 145231777
N-[4-[4-(3,4-difluorophenyl)oxan-4-yl]oxyphenyl]-2-(4-ethylsulfanylphenyl)acetamide
CID 144946627
4-amino-2-(4-ethylsulfanylphenyl)-N-[4-[1-(4-fluorophenyl)sulfanylcyclopropyl]phenyl]butanamide
CID 145232277
N-(4-ethyl-3-fluorophenyl)-2-(4-ethylsulfanylphenyl)acetamide
CID 123212321
tert-butyl N-[2-[4-[[2-(4-ethylsulfanylphenyl)acetyl]amino]phenyl]propan-2-yl]carbamate
CID 145232207
2-(4-ethylsulfanylphenyl)-N-[4-[1-(4-fluorophenyl)-2-methyl-1-oxopropan-2-yl]phenyl]acetamide
CID 145231841
N-[4-[4-(2,4-dichlorophenyl)oxan-4-yl]oxyphenyl]-2-(4-ethylsulfanylphenyl)acetamide
CID 145196894
N-[4-[3-(2,4-dimethylphenyl)oxetan-3-yl]oxyphenyl]-2-(4-ethylsulfanylphenyl)acetamide
CID 163623957
N-[4-[2-(2,4-dichlorophenyl)propan-2-yloxy]phenyl]-2-(4-ethylsulfanylphenyl)acetamide
CID 123763842
2-(4-ethylsulfanylphenyl)-N'-methylacetohydrazide
CID 116846235

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylsulfanylphenyl)-N-[4-[1-(1H-pyrazol-4-ylsulfanyl)cyclopropyl]phenyl]acetamide?
The IUPAC name of 2-(4-ethylsulfanylphenyl)-N-[4-[1-(1H-pyrazol-4-ylsulfanyl)cyclopropyl]phenyl]acetamide (CID 145231975) is 2-(4-ethylsulfanylphenyl)-N-[4-[1-(1H-pyrazol-4-ylsulfanyl)cyclopropyl]phenyl]acetamide.
What is the SMILES notation for 2-(4-ethylsulfanylphenyl)-N-[4-[1-(1H-pyrazol-4-ylsulfanyl)cyclopropyl]phenyl]acetamide?
The canonical SMILES for 2-(4-ethylsulfanylphenyl)-N-[4-[1-(1H-pyrazol-4-ylsulfanyl)cyclopropyl]phenyl]acetamide is CCSc1ccc(CC(=O)Nc2ccc(C3(Sc4cn[nH]c4)CC3)cc2)cc1.
What is the InChIKey of 2-(4-ethylsulfanylphenyl)-N-[4-[1-(1H-pyrazol-4-ylsulfanyl)cyclopropyl]phenyl]acetamide?
The InChIKey is RGRDWVWMRDZBCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3OS2/c1-2-27-19-9-3-16(4-10-19)13-21(26)25-18-7-5-17(6-8-18)22(11-12-22)28-20-14-23-24-15-20/h3-10,14-15H,2,11-13H2,1H3,(H,23,24)(H,25,26).
What are the key properties of 2-(4-ethylsulfanylphenyl)-N-[4-[1-(1H-pyrazol-4-ylsulfanyl)cyclopropyl]phenyl]acetamide?
2-(4-ethylsulfanylphenyl)-N-[4-[1-(1H-pyrazol-4-ylsulfanyl)cyclopropyl]phenyl]acetamide has a molecular weight of 409.58 g/mol, XLogP of 5.48, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylsulfanylphenyl)-N-[4-[1-(1H-pyrazol-4-ylsulfanyl)cyclopropyl]phenyl]acetamide is sourced from PubChem (CID 145231975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).