N-cyclopentyl-2-[(4-methoxyphenyl)methylsulfanyl]acetamide

C15H21NO2S — CID 53279549

IUPACN-cyclopentyl-2-[(4-methoxyphenyl)methylsulfanyl]acetamide
SMILESCOc1ccc(CSCC(=O)NC2CCCC2)cc1
InChIInChI=1S/C15H21NO2S/c1-18-14-8-6-12(7-9-14)10-19-11-15(17)16-13-4-2-3-5-13/h6-9,13H,2-5,10-11H2,1H3,(H,16,17)
InChIKeyOEXCSZSSFMEJOH-UHFFFAOYSA-N
MW279.40 g/mol
LogP2.99
Rot. Bonds6

About N-cyclopentyl-2-[(4-methoxyphenyl)methylsulfanyl]acetamide

N-cyclopentyl-2-[(4-methoxyphenyl)methylsulfanyl]acetamide (PubChem CID 53279549) has the molecular formula C15H21NO2S and a molecular weight of 279.40 g/mol. Its IUPAC name is N-cyclopentyl-2-[(4-methoxyphenyl)methylsulfanyl]acetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[(4-methoxyphenyl)methylsulfanyl]acetamide
PubChem CID53279549
Molecular FormulaC15H21NO2S
Molecular Weight279.40 g/mol
Exact Mass279.13
IUPAC NameN-cyclopentyl-2-[(4-methoxyphenyl)methylsulfanyl]acetamide
SMILESCOc1ccc(CSCC(=O)NC2CCCC2)cc1
InChIInChI=1S/C15H21NO2S/c1-18-14-8-6-12(7-9-14)10-19-11-15(17)16-13-4-2-3-5-13/h6-9,13H,2-5,10-11H2,1H3,(H,16,17)
InChIKeyOEXCSZSSFMEJOH-UHFFFAOYSA-N
XLogP2.99
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.40
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopentyl-2-[[5-[(4-methoxyphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 7820236
N-cycloheptyl-2-(4-methoxyphenyl)sulfanylacetamide
CID 7992638
N-cycloheptyl-2-[[5-[(4-methoxyphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 7898049
2-[(4-methoxyphenyl)methylsulfanyl]-N-methylacetamide
CID 53279533
N-cyclohexyl-2-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]acetamide
CID 46276348
2-[(4-methoxyphenyl)methylsulfanyl]-N-propan-2-ylacetamide
CID 53279539
2-[(4-tert-butylphenyl)methylsulfanyl]-N-cyclopropylacetamide
CID 134017051
N-cyclopentyl-2-[[2-[(4-methoxyphenyl)methylsulfanyl]acetyl]-[(4-methylphenyl)methyl]amino]propanamide
CID 132613421
N-cyclopentyl-2-[(3,4-dichlorophenyl)methylsulfanyl]acetamide
CID 17309803
2-(1,3-benzodioxol-5-ylmethylsulfanyl)-N-cyclohexylacetamide
CID 17405781
2-[(2-benzylsulfanylacetyl)-[(4-methoxyphenyl)methyl]amino]-N-cyclohexylpropanamide
CID 132613407
N-cyclopentyl-2-[[2-[(4-methoxyphenyl)methylsulfanyl]acetyl]-(2-phenylethyl)amino]propanamide
CID 132613418

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[(4-methoxyphenyl)methylsulfanyl]acetamide?
The IUPAC name of N-cyclopentyl-2-[(4-methoxyphenyl)methylsulfanyl]acetamide (CID 53279549) is N-cyclopentyl-2-[(4-methoxyphenyl)methylsulfanyl]acetamide.
What is the SMILES notation for N-cyclopentyl-2-[(4-methoxyphenyl)methylsulfanyl]acetamide?
The canonical SMILES for N-cyclopentyl-2-[(4-methoxyphenyl)methylsulfanyl]acetamide is COc1ccc(CSCC(=O)NC2CCCC2)cc1.
What is the InChIKey of N-cyclopentyl-2-[(4-methoxyphenyl)methylsulfanyl]acetamide?
The InChIKey is OEXCSZSSFMEJOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2S/c1-18-14-8-6-12(7-9-14)10-19-11-15(17)16-13-4-2-3-5-13/h6-9,13H,2-5,10-11H2,1H3,(H,16,17).
What are the key properties of N-cyclopentyl-2-[(4-methoxyphenyl)methylsulfanyl]acetamide?
N-cyclopentyl-2-[(4-methoxyphenyl)methylsulfanyl]acetamide has a molecular weight of 279.40 g/mol, XLogP of 2.99, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[(4-methoxyphenyl)methylsulfanyl]acetamide is sourced from PubChem (CID 53279549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).