N-cyclopentyl-2-[(2-methylphenyl)methylsulfanyl]acetamide

C15H21NOS — CID 774268

IUPACN-cyclopentyl-2-[(2-methylphenyl)methylsulfanyl]acetamide
SMILESCc1ccccc1CSCC(=O)NC1CCCC1
InChIInChI=1S/C15H21NOS/c1-12-6-2-3-7-13(12)10-18-11-15(17)16-14-8-4-5-9-14/h2-3,6-7,14H,4-5,8-11H2,1H3,(H,16,17)
InChIKeyMPWJLWUXEMAAFG-UHFFFAOYSA-N
MW263.41 g/mol
LogP3.29
Rot. Bonds5

About N-cyclopentyl-2-[(2-methylphenyl)methylsulfanyl]acetamide

N-cyclopentyl-2-[(2-methylphenyl)methylsulfanyl]acetamide (PubChem CID 774268) has the molecular formula C15H21NOS and a molecular weight of 263.41 g/mol. Its IUPAC name is N-cyclopentyl-2-[(2-methylphenyl)methylsulfanyl]acetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[(2-methylphenyl)methylsulfanyl]acetamide
PubChem CID774268
Molecular FormulaC15H21NOS
Molecular Weight263.41 g/mol
Exact Mass263.13
IUPAC NameN-cyclopentyl-2-[(2-methylphenyl)methylsulfanyl]acetamide
SMILESCc1ccccc1CSCC(=O)NC1CCCC1
InChIInChI=1S/C15H21NOS/c1-12-6-2-3-7-13(12)10-18-11-15(17)16-14-8-4-5-9-14/h2-3,6-7,14H,4-5,8-11H2,1H3,(H,16,17)
InChIKeyMPWJLWUXEMAAFG-UHFFFAOYSA-N
XLogP3.29
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.41
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-Methyl-3-phenylpropyl)acetamide
CID 541808
6-Phenylthiomorpholin-3-one
CID 20242416
N-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-2-(methylthio)acetamide
CID 23723347
N-(2-oxothiolan-3-yl)-3-phenylpropanamide
CID 2905735
3-[(4-methylphenyl)sulfanyl]-N-(propan-2-yl)propanamide
CID 848239
N-[2-(1-cyclohexen-1-yl)ethyl]-2-[(4-methylphenyl)thio]acetamide
CID 2175467
2-(benzylthio)-N-cyclopentylpropanamide
CID 2889434
N-cyclopentyl-2-[(4-fluorobenzyl)thio]acetamide
CID 3244937
N-(2-cyclohex-1-en-1-ylethyl)-3-[(2-methylbenzyl)thio]propanamide
CID 5002206
3-[(2-methylbenzyl)thio]-N-(2-phenylethyl)propanamide
CID 4615289
2-(Benzhydrylthio)-N-butylacetamide
CID 60352130
S-[3-oxo-3-[[4-oxo-4-(2-phenylethylamino)butyl]amino]propyl] ethanethioate
CID 90024758

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[(2-methylphenyl)methylsulfanyl]acetamide?
The IUPAC name of N-cyclopentyl-2-[(2-methylphenyl)methylsulfanyl]acetamide (CID 774268) is N-cyclopentyl-2-[(2-methylphenyl)methylsulfanyl]acetamide.
What is the SMILES notation for N-cyclopentyl-2-[(2-methylphenyl)methylsulfanyl]acetamide?
The canonical SMILES for N-cyclopentyl-2-[(2-methylphenyl)methylsulfanyl]acetamide is Cc1ccccc1CSCC(=O)NC1CCCC1.
What is the InChIKey of N-cyclopentyl-2-[(2-methylphenyl)methylsulfanyl]acetamide?
The InChIKey is MPWJLWUXEMAAFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NOS/c1-12-6-2-3-7-13(12)10-18-11-15(17)16-14-8-4-5-9-14/h2-3,6-7,14H,4-5,8-11H2,1H3,(H,16,17).
What are the key properties of N-cyclopentyl-2-[(2-methylphenyl)methylsulfanyl]acetamide?
N-cyclopentyl-2-[(2-methylphenyl)methylsulfanyl]acetamide has a molecular weight of 263.41 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[(2-methylphenyl)methylsulfanyl]acetamide is sourced from PubChem (CID 774268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).