2-cyclopentyl-2-[(3,5-dichlorophenyl)methylsulfanyl]acetamide

C14H17Cl2NOS — CID 162665282

IUPAC2-cyclopentyl-2-[(3,5-dichlorophenyl)methylsulfanyl]acetamide
SMILESNC(=O)C(SCc1cc(Cl)cc(Cl)c1)C1CCCC1
InChIInChI=1S/C14H17Cl2NOS/c15-11-5-9(6-12(16)7-11)8-19-13(14(17)18)10-3-1-2-4-10/h5-7,10,13H,1-4,8H2,(H2,17,18)
InChIKeyIEPIBOBZWHSCSG-UHFFFAOYSA-N
MW318.27 g/mol
LogP4.27
Rot. Bonds5

About 2-cyclopentyl-2-[(3,5-dichlorophenyl)methylsulfanyl]acetamide

2-cyclopentyl-2-[(3,5-dichlorophenyl)methylsulfanyl]acetamide (PubChem CID 162665282) has the molecular formula C14H17Cl2NOS and a molecular weight of 318.27 g/mol. Its IUPAC name is 2-cyclopentyl-2-[(3,5-dichlorophenyl)methylsulfanyl]acetamide.

Molecular Properties

Compound Name2-cyclopentyl-2-[(3,5-dichlorophenyl)methylsulfanyl]acetamide
PubChem CID162665282
Molecular FormulaC14H17Cl2NOS
Molecular Weight318.27 g/mol
Exact Mass317.04
IUPAC Name2-cyclopentyl-2-[(3,5-dichlorophenyl)methylsulfanyl]acetamide
SMILESNC(=O)C(SCc1cc(Cl)cc(Cl)c1)C1CCCC1
InChIInChI=1S/C14H17Cl2NOS/c15-11-5-9(6-12(16)7-11)8-19-13(14(17)18)10-3-1-2-4-10/h5-7,10,13H,1-4,8H2,(H2,17,18)
InChIKeyIEPIBOBZWHSCSG-UHFFFAOYSA-N
XLogP4.27
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.27
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2,4-Dichlorophenyl)methylsulfanyl]-3-methylbutanamide
CID 162663908
N-(1-cyanothiolan-1-yl)-2-(2,6-dichlorophenyl)acetamide
CID 23500794
3-(3,5-Dichlorophenyl)propanamide
CID 68899922
5-(4-Chlorophenyl)-2,3-dihydrothiophene-2-carboxamide
CID 70265437
4-(3,5-Dichlorophenyl)butanamide
CID 173252326
2-[5-[(3,5-Dichlorophenyl)methyl]-4-oxo-1,3-thiazol-2-yl]guanidine
CID 18830442
3-[(2,6-Dichlorophenyl)methylsulfanyl]propanamide
CID 34502613
2-[(3-Chlorophenyl)methylsulfanyl]propanamide
CID 47160142
(2S)-2-[(3-chlorophenyl)methylsulfanyl]propanamide
CID 94038320
(2R)-2-[(3-chlorophenyl)methylsulfanyl]propanamide
CID 94038321
N-[2-[(2,6-dichlorophenyl)methylsulfanyl]ethyl]cyclopentanecarboxamide
CID 100617931
N-[2-[(3-chlorophenyl)methylsulfanyl]ethyl]cyclopentanecarboxamide
CID 100773197

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-2-[(3,5-dichlorophenyl)methylsulfanyl]acetamide?
The IUPAC name of 2-cyclopentyl-2-[(3,5-dichlorophenyl)methylsulfanyl]acetamide (CID 162665282) is 2-cyclopentyl-2-[(3,5-dichlorophenyl)methylsulfanyl]acetamide.
What is the SMILES notation for 2-cyclopentyl-2-[(3,5-dichlorophenyl)methylsulfanyl]acetamide?
The canonical SMILES for 2-cyclopentyl-2-[(3,5-dichlorophenyl)methylsulfanyl]acetamide is NC(=O)C(SCc1cc(Cl)cc(Cl)c1)C1CCCC1.
What is the InChIKey of 2-cyclopentyl-2-[(3,5-dichlorophenyl)methylsulfanyl]acetamide?
The InChIKey is IEPIBOBZWHSCSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Cl2NOS/c15-11-5-9(6-12(16)7-11)8-19-13(14(17)18)10-3-1-2-4-10/h5-7,10,13H,1-4,8H2,(H2,17,18).
What are the key properties of 2-cyclopentyl-2-[(3,5-dichlorophenyl)methylsulfanyl]acetamide?
2-cyclopentyl-2-[(3,5-dichlorophenyl)methylsulfanyl]acetamide has a molecular weight of 318.27 g/mol, XLogP of 4.27, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-2-[(3,5-dichlorophenyl)methylsulfanyl]acetamide is sourced from PubChem (CID 162665282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).