2-cyclopentylsulfanyl-N-[4-(2,5-dimethylphenyl)sulfanylphenyl]acetamide

C21H25NOS2 — CID 7825723

IUPAC2-cyclopentylsulfanyl-N-[4-(2,5-dimethylphenyl)sulfanylphenyl]acetamide
SMILESCc1ccc(C)c(Sc2ccc(NC(=O)CSC3CCCC3)cc2)c1
InChIInChI=1S/C21H25NOS2/c1-15-7-8-16(2)20(13-15)25-19-11-9-17(10-12-19)22-21(23)14-24-18-5-3-4-6-18/h7-13,18H,3-6,14H2,1-2H3,(H,22,23)
InChIKeyHMCLLYHWTQPYDO-UHFFFAOYSA-N
MW371.57 g/mol
LogP6.07
Rot. Bonds6

About 2-cyclopentylsulfanyl-N-[4-(2,5-dimethylphenyl)sulfanylphenyl]acetamide

2-cyclopentylsulfanyl-N-[4-(2,5-dimethylphenyl)sulfanylphenyl]acetamide (PubChem CID 7825723) has the molecular formula C21H25NOS2 and a molecular weight of 371.57 g/mol. Its IUPAC name is 2-cyclopentylsulfanyl-N-[4-(2,5-dimethylphenyl)sulfanylphenyl]acetamide.

Molecular Properties

Compound Name2-cyclopentylsulfanyl-N-[4-(2,5-dimethylphenyl)sulfanylphenyl]acetamide
PubChem CID7825723
Molecular FormulaC21H25NOS2
Molecular Weight371.57 g/mol
Exact Mass371.14
IUPAC Name2-cyclopentylsulfanyl-N-[4-(2,5-dimethylphenyl)sulfanylphenyl]acetamide
SMILESCc1ccc(C)c(Sc2ccc(NC(=O)CSC3CCCC3)cc2)c1
InChIInChI=1S/C21H25NOS2/c1-15-7-8-16(2)20(13-15)25-19-11-9-17(10-12-19)22-21(23)14-24-18-5-3-4-6-18/h7-13,18H,3-6,14H2,1-2H3,(H,22,23)
InChIKeyHMCLLYHWTQPYDO-UHFFFAOYSA-N
XLogP6.07
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.57
LogP ≤ 56.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(2,5-dimethylphenyl)sulfanylphenyl]cyclopropanecarboxamide
CID 7925847
2-cyclopentylsulfanyl-N-(2,4-dimethylphenyl)acetamide
CID 6456804
ethyl 2-[2-[4-(2,5-dimethylphenyl)sulfanylanilino]-2-oxoethyl]sulfanylacetate
CID 18277337
2-cyclohexylsulfanyl-N-(4-fluorophenyl)acetamide
CID 734043
N-[3-[4-(2,5-dimethylphenyl)sulfanylanilino]-3-oxopropyl]-2,2-dimethylpropanamide
CID 22830955
[2-[4-(2,5-dimethylphenyl)sulfanylanilino]-2-oxoethyl] 2-methoxyacetate
CID 7776150
N-[4-(2,5-dimethylphenyl)sulfanylphenyl]-2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)acetamide
CID 7757122
N-[4-(2,5-dimethylphenyl)sulfanylphenyl]-2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 24584517
N-[4-(2,5-dimethylphenyl)sulfanylphenyl]-2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetamide
CID 7795633
2-cyclohexylsulfanyl-N-phenylacetamide
CID 23932731
2-[(4S)-4-benzyl-2,5-dioxoimidazolidin-1-yl]-N-[4-(2,5-dimethylphenyl)sulfanylphenyl]acetamide
CID 41117633
[2-[4-(2,5-dimethylphenyl)sulfanylanilino]-2-oxoethyl] 3,4-dimethylbenzoate
CID 7794252

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentylsulfanyl-N-[4-(2,5-dimethylphenyl)sulfanylphenyl]acetamide?
The IUPAC name of 2-cyclopentylsulfanyl-N-[4-(2,5-dimethylphenyl)sulfanylphenyl]acetamide (CID 7825723) is 2-cyclopentylsulfanyl-N-[4-(2,5-dimethylphenyl)sulfanylphenyl]acetamide.
What is the SMILES notation for 2-cyclopentylsulfanyl-N-[4-(2,5-dimethylphenyl)sulfanylphenyl]acetamide?
The canonical SMILES for 2-cyclopentylsulfanyl-N-[4-(2,5-dimethylphenyl)sulfanylphenyl]acetamide is Cc1ccc(C)c(Sc2ccc(NC(=O)CSC3CCCC3)cc2)c1.
What is the InChIKey of 2-cyclopentylsulfanyl-N-[4-(2,5-dimethylphenyl)sulfanylphenyl]acetamide?
The InChIKey is HMCLLYHWTQPYDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NOS2/c1-15-7-8-16(2)20(13-15)25-19-11-9-17(10-12-19)22-21(23)14-24-18-5-3-4-6-18/h7-13,18H,3-6,14H2,1-2H3,(H,22,23).
What are the key properties of 2-cyclopentylsulfanyl-N-[4-(2,5-dimethylphenyl)sulfanylphenyl]acetamide?
2-cyclopentylsulfanyl-N-[4-(2,5-dimethylphenyl)sulfanylphenyl]acetamide has a molecular weight of 371.57 g/mol, XLogP of 6.07, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentylsulfanyl-N-[4-(2,5-dimethylphenyl)sulfanylphenyl]acetamide is sourced from PubChem (CID 7825723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).