2-cyclopentylsulfanyl-N-(2,4,5-trichlorophenyl)acetamide

C13H14Cl3NOS — CID 7825724

IUPAC2-cyclopentylsulfanyl-N-(2,4,5-trichlorophenyl)acetamide
SMILESO=C(CSC1CCCC1)Nc1cc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C13H14Cl3NOS/c14-9-5-11(16)12(6-10(9)15)17-13(18)7-19-8-3-1-2-4-8/h5-6,8H,1-4,7H2,(H,17,18)
InChIKeyHVQRSTVAJZHXCA-UHFFFAOYSA-N
MW338.69 g/mol
LogP5.26
Rot. Bonds4

About 2-cyclopentylsulfanyl-N-(2,4,5-trichlorophenyl)acetamide

2-cyclopentylsulfanyl-N-(2,4,5-trichlorophenyl)acetamide (PubChem CID 7825724) has the molecular formula C13H14Cl3NOS and a molecular weight of 338.69 g/mol. Its IUPAC name is 2-cyclopentylsulfanyl-N-(2,4,5-trichlorophenyl)acetamide.

Molecular Properties

Compound Name2-cyclopentylsulfanyl-N-(2,4,5-trichlorophenyl)acetamide
PubChem CID7825724
Molecular FormulaC13H14Cl3NOS
Molecular Weight338.69 g/mol
Exact Mass336.99
IUPAC Name2-cyclopentylsulfanyl-N-(2,4,5-trichlorophenyl)acetamide
SMILESO=C(CSC1CCCC1)Nc1cc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C13H14Cl3NOS/c14-9-5-11(16)12(6-10(9)15)17-13(18)7-19-8-3-1-2-4-8/h5-6,8H,1-4,7H2,(H,17,18)
InChIKeyHVQRSTVAJZHXCA-UHFFFAOYSA-N
XLogP5.26
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.69
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

N-(4-amino-2,6-dichlorophenyl)-2-cyclohexylsulfanylacetamide
CID 60884915
N-(2-chloro-5-pyrrolidin-1-ylsulfonylphenyl)-2-cyclopentylsulfanylacetamide
CID 7395638
N-(3-amino-4-chlorophenyl)-2-cyclopentylsulfanylacetamide
CID 62057025
2-(cyclohexylamino)-N-(2,4,5-trichlorophenyl)acetamide
CID 54815310
2-cyclopentylsulfanyl-N-(2,4-dimethylphenyl)acetamide
CID 6456804
N-(2-aminophenyl)-2-cyclopentylsulfanylacetamide
CID 63114529
3-cyclohexylsulfanyl-N-(2,5-dichlorophenyl)propanamide
CID 23804460
N-methyl-2-[[2-oxo-2-(2,4,5-trichloroanilino)ethyl]amino]acetamide
CID 8771652
2-cyclohexylsulfanyl-N-(4,5-dimethyl-2-nitrophenyl)acetamide
CID 8705844
methyl 3-[(2-cyclopentylsulfanylacetyl)amino]-4-methylbenzoate
CID 7395646
N-(3-amino-2-methylphenyl)-2-cyclopentylsulfanylacetamide
CID 55136606
2-[(5-cyclohexyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2,4,5-trichlorophenyl)acetamide
CID 17303311

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentylsulfanyl-N-(2,4,5-trichlorophenyl)acetamide?
The IUPAC name of 2-cyclopentylsulfanyl-N-(2,4,5-trichlorophenyl)acetamide (CID 7825724) is 2-cyclopentylsulfanyl-N-(2,4,5-trichlorophenyl)acetamide.
What is the SMILES notation for 2-cyclopentylsulfanyl-N-(2,4,5-trichlorophenyl)acetamide?
The canonical SMILES for 2-cyclopentylsulfanyl-N-(2,4,5-trichlorophenyl)acetamide is O=C(CSC1CCCC1)Nc1cc(Cl)c(Cl)cc1Cl.
What is the InChIKey of 2-cyclopentylsulfanyl-N-(2,4,5-trichlorophenyl)acetamide?
The InChIKey is HVQRSTVAJZHXCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Cl3NOS/c14-9-5-11(16)12(6-10(9)15)17-13(18)7-19-8-3-1-2-4-8/h5-6,8H,1-4,7H2,(H,17,18).
What are the key properties of 2-cyclopentylsulfanyl-N-(2,4,5-trichlorophenyl)acetamide?
2-cyclopentylsulfanyl-N-(2,4,5-trichlorophenyl)acetamide has a molecular weight of 338.69 g/mol, XLogP of 5.26, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentylsulfanyl-N-(2,4,5-trichlorophenyl)acetamide is sourced from PubChem (CID 7825724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).