N-cyclopentyl-2-[(3,5-dimethylphenyl)methylsulfanyl]-N-methylacetamide

C17H25NOS — CID 28632690

IUPACN-cyclopentyl-2-[(3,5-dimethylphenyl)methylsulfanyl]-N-methylacetamide
SMILESCc1cc(C)cc(CSCC(=O)N(C)C2CCCC2)c1
InChIInChI=1S/C17H25NOS/c1-13-8-14(2)10-15(9-13)11-20-12-17(19)18(3)16-6-4-5-7-16/h8-10,16H,4-7,11-12H2,1-3H3
InChIKeySWPZBLNDUHZEHJ-UHFFFAOYSA-N
MW291.46 g/mol
LogP3.94
Rot. Bonds5

About N-cyclopentyl-2-[(3,5-dimethylphenyl)methylsulfanyl]-N-methylacetamide

N-cyclopentyl-2-[(3,5-dimethylphenyl)methylsulfanyl]-N-methylacetamide (PubChem CID 28632690) has the molecular formula C17H25NOS and a molecular weight of 291.46 g/mol. Its IUPAC name is N-cyclopentyl-2-[(3,5-dimethylphenyl)methylsulfanyl]-N-methylacetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[(3,5-dimethylphenyl)methylsulfanyl]-N-methylacetamide
PubChem CID28632690
Molecular FormulaC17H25NOS
Molecular Weight291.46 g/mol
Exact Mass291.17
IUPAC NameN-cyclopentyl-2-[(3,5-dimethylphenyl)methylsulfanyl]-N-methylacetamide
SMILESCc1cc(C)cc(CSCC(=O)N(C)C2CCCC2)c1
InChIInChI=1S/C17H25NOS/c1-13-8-14(2)10-15(9-13)11-20-12-17(19)18(3)16-6-4-5-7-16/h8-10,16H,4-7,11-12H2,1-3H3
InChIKeySWPZBLNDUHZEHJ-UHFFFAOYSA-N
XLogP3.94
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.46
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[2-oxo-2-(2,4,6-trimethylanilino)ethyl] 2-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]sulfanylacetate
CID 7739332
1-[(3,5-dimethylphenyl)methylsulfanyl]propan-2-one
CID 79670956
N-[2-[cycloheptyl(methyl)amino]-2-oxoethyl]-3,5-dimethylbenzamide
CID 112805274
N-cyclobutyl-N-(3-hydroxypropyl)-2-[(3-methylphenyl)methylsulfanyl]acetamide
CID 102866623
[2-(3-methylanilino)-2-oxoethyl] 2-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]sulfanylacetate
CID 7739296
(2R)-N-cyclohexyl-2-[[2-[(3,5-dimethylphenyl)methylsulfanyl]acetyl]-(2-phenylethyl)amino]propanamide
CID 100516935
2-[(3-bromophenyl)methyl-[2-[(3,5-dimethylphenyl)methylsulfanyl]acetyl]amino]-N-cyclopentylpropanamide
CID 133198804
2-[cyclopropyl-[2-[(3-methylphenyl)methylsulfanyl]acetyl]amino]acetic acid
CID 60825973
N-cyclopropyl-2-(3,5-dimethylphenoxy)-N-methylacetamide
CID 60749452
2-[[amino-(3,5-dimethylanilino)methylidene]amino]-N-cyclohexyl-N-methylacetamide
CID 119142479
N-cyclohexyl-N-methyl-2-[(3-methylphenyl)methylsulfonyl]acetamide
CID 78852248
N-cyclohexyl-2-[2-(1,3-dioxoisoindol-2-yl)ethylsulfanyl]-N-methylacetamide
CID 78786626

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[(3,5-dimethylphenyl)methylsulfanyl]-N-methylacetamide?
The IUPAC name of N-cyclopentyl-2-[(3,5-dimethylphenyl)methylsulfanyl]-N-methylacetamide (CID 28632690) is N-cyclopentyl-2-[(3,5-dimethylphenyl)methylsulfanyl]-N-methylacetamide.
What is the SMILES notation for N-cyclopentyl-2-[(3,5-dimethylphenyl)methylsulfanyl]-N-methylacetamide?
The canonical SMILES for N-cyclopentyl-2-[(3,5-dimethylphenyl)methylsulfanyl]-N-methylacetamide is Cc1cc(C)cc(CSCC(=O)N(C)C2CCCC2)c1.
What is the InChIKey of N-cyclopentyl-2-[(3,5-dimethylphenyl)methylsulfanyl]-N-methylacetamide?
The InChIKey is SWPZBLNDUHZEHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NOS/c1-13-8-14(2)10-15(9-13)11-20-12-17(19)18(3)16-6-4-5-7-16/h8-10,16H,4-7,11-12H2,1-3H3.
What are the key properties of N-cyclopentyl-2-[(3,5-dimethylphenyl)methylsulfanyl]-N-methylacetamide?
N-cyclopentyl-2-[(3,5-dimethylphenyl)methylsulfanyl]-N-methylacetamide has a molecular weight of 291.46 g/mol, XLogP of 3.94, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[(3,5-dimethylphenyl)methylsulfanyl]-N-methylacetamide is sourced from PubChem (CID 28632690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).