N-cyclopentyl-2-[(4,5-dimethoxy-2-methylphenyl)methylsulfanyl]acetamide

C17H25NO3S — CID 9408968

IUPACN-cyclopentyl-2-[(4,5-dimethoxy-2-methylphenyl)methylsulfanyl]acetamide
SMILESCOc1cc(C)c(CSCC(=O)NC2CCCC2)cc1OC
InChIInChI=1S/C17H25NO3S/c1-12-8-15(20-2)16(21-3)9-13(12)10-22-11-17(19)18-14-6-4-5-7-14/h8-9,14H,4-7,10-11H2,1-3H3,(H,18,19)
InChIKeyPTEOVCWZCCZSDI-UHFFFAOYSA-N
MW323.46 g/mol
LogP3.30
Rot. Bonds7

About N-cyclopentyl-2-[(4,5-dimethoxy-2-methylphenyl)methylsulfanyl]acetamide

N-cyclopentyl-2-[(4,5-dimethoxy-2-methylphenyl)methylsulfanyl]acetamide (PubChem CID 9408968) has the molecular formula C17H25NO3S and a molecular weight of 323.46 g/mol. Its IUPAC name is N-cyclopentyl-2-[(4,5-dimethoxy-2-methylphenyl)methylsulfanyl]acetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[(4,5-dimethoxy-2-methylphenyl)methylsulfanyl]acetamide
PubChem CID9408968
Molecular FormulaC17H25NO3S
Molecular Weight323.46 g/mol
Exact Mass323.16
IUPAC NameN-cyclopentyl-2-[(4,5-dimethoxy-2-methylphenyl)methylsulfanyl]acetamide
SMILESCOc1cc(C)c(CSCC(=O)NC2CCCC2)cc1OC
InChIInChI=1S/C17H25NO3S/c1-12-8-15(20-2)16(21-3)9-13(12)10-22-11-17(19)18-14-6-4-5-7-14/h8-9,14H,4-7,10-11H2,1-3H3,(H,18,19)
InChIKeyPTEOVCWZCCZSDI-UHFFFAOYSA-N
XLogP3.30
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.46
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(2S)-1-(cycloheptylamino)-1-oxopropan-2-yl] 2-[(4,5-dimethoxy-2-methylphenyl)methylsulfanyl]acetate
CID 9385373
N-cyclopentyl-2-(2,5-dimethoxy-4-methylphenyl)acetamide
CID 110769695
2-[(5-amino-2-methoxyphenyl)methylsulfanyl]-N-cyclopropylacetamide
CID 114233506
N-cyclopentyl-2-[(4-methoxyphenyl)methylsulfanyl]acetamide
CID 53279549
N-(cyclopentylcarbamoyl)-2-[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]acetamide
CID 8551255
N-cycloheptyl-2-(3,4-dimethoxyphenyl)acetamide
CID 720355
N-cyclopentyl-2-[2-(2,5-dimethylphenoxy)ethylsulfanyl]acetamide
CID 78786673
N-cyclohexyl-2-[2-(2-methoxyanilino)-2-oxoethyl]sulfanylacetamide
CID 40588524
N'-[2-[(4,5-dimethoxy-2-methylphenyl)methylsulfanyl]acetyl]-2,4-dimethylbenzohydrazide
CID 9276938
N-cyclopentyl-2-(2-methoxyphenyl)sulfanylacetamide
CID 52772357
1-cyclopentyl-3-[(2-methoxy-4,5-dimethylphenyl)methyl]urea
CID 110774921
N-cyclohexyl-2-(2-methoxy-5-methylphenyl)acetamide
CID 18108630

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[(4,5-dimethoxy-2-methylphenyl)methylsulfanyl]acetamide?
The IUPAC name of N-cyclopentyl-2-[(4,5-dimethoxy-2-methylphenyl)methylsulfanyl]acetamide (CID 9408968) is N-cyclopentyl-2-[(4,5-dimethoxy-2-methylphenyl)methylsulfanyl]acetamide.
What is the SMILES notation for N-cyclopentyl-2-[(4,5-dimethoxy-2-methylphenyl)methylsulfanyl]acetamide?
The canonical SMILES for N-cyclopentyl-2-[(4,5-dimethoxy-2-methylphenyl)methylsulfanyl]acetamide is COc1cc(C)c(CSCC(=O)NC2CCCC2)cc1OC.
What is the InChIKey of N-cyclopentyl-2-[(4,5-dimethoxy-2-methylphenyl)methylsulfanyl]acetamide?
The InChIKey is PTEOVCWZCCZSDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3S/c1-12-8-15(20-2)16(21-3)9-13(12)10-22-11-17(19)18-14-6-4-5-7-14/h8-9,14H,4-7,10-11H2,1-3H3,(H,18,19).
What are the key properties of N-cyclopentyl-2-[(4,5-dimethoxy-2-methylphenyl)methylsulfanyl]acetamide?
N-cyclopentyl-2-[(4,5-dimethoxy-2-methylphenyl)methylsulfanyl]acetamide has a molecular weight of 323.46 g/mol, XLogP of 3.30, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[(4,5-dimethoxy-2-methylphenyl)methylsulfanyl]acetamide is sourced from PubChem (CID 9408968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).