N-[(2S)-2-(2-chlorophenyl)-2-methoxyethyl]-2-cyclopentylsulfanylacetamide

C16H22ClNO2S — CID 99876096

IUPACN-[(2S)-2-(2-chlorophenyl)-2-methoxyethyl]-2-cyclopentylsulfanylacetamide
SMILESCO[C@H](CNC(=O)CSC1CCCC1)c1ccccc1Cl
InChIInChI=1S/C16H22ClNO2S/c1-20-15(13-8-4-5-9-14(13)17)10-18-16(19)11-21-12-6-2-3-7-12/h4-5,8-9,12,15H,2-3,6-7,10-11H2,1H3,(H,18,19)/t15-/m1/s1
InChIKeyOALDKDBCRYVJLY-OAHLLOKOSA-N
MW327.88 g/mol
LogP3.82
Rot. Bonds7

About N-[(2S)-2-(2-chlorophenyl)-2-methoxyethyl]-2-cyclopentylsulfanylacetamide

N-[(2S)-2-(2-chlorophenyl)-2-methoxyethyl]-2-cyclopentylsulfanylacetamide (PubChem CID 99876096) has the molecular formula C16H22ClNO2S and a molecular weight of 327.88 g/mol. Its IUPAC name is N-[(2S)-2-(2-chlorophenyl)-2-methoxyethyl]-2-cyclopentylsulfanylacetamide.

Molecular Properties

Compound NameN-[(2S)-2-(2-chlorophenyl)-2-methoxyethyl]-2-cyclopentylsulfanylacetamide
PubChem CID99876096
Molecular FormulaC16H22ClNO2S
Molecular Weight327.88 g/mol
Exact Mass327.11
IUPAC NameN-[(2S)-2-(2-chlorophenyl)-2-methoxyethyl]-2-cyclopentylsulfanylacetamide
SMILESCO[C@H](CNC(=O)CSC1CCCC1)c1ccccc1Cl
InChIInChI=1S/C16H22ClNO2S/c1-20-15(13-8-4-5-9-14(13)17)10-18-16(19)11-21-12-6-2-3-7-12/h4-5,8-9,12,15H,2-3,6-7,10-11H2,1H3,(H,18,19)/t15-/m1/s1
InChIKeyOALDKDBCRYVJLY-OAHLLOKOSA-N
XLogP3.82
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.88
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-chlorophenyl)-2-methoxyethyl]propanamide
CID 90623661
N-[2-(2-chlorophenyl)-2-methoxyethyl]-N'-cyclohexyloxamide
CID 90623934
N-[2-(2-chlorophenyl)-2-methoxyethyl]-N'-cycloheptyloxamide
CID 90623941
2-cyclopentylsulfanyl-N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]acetamide
CID 71810343
(1R)-N-[(2S)-2-(2-chlorophenyl)-2-methoxyethyl]cyclohex-3-ene-1-carboxamide
CID 99592280
N-[2-(2-chlorophenyl)-2-methoxyethyl]-3,3-diphenylpropanamide
CID 121145441
N-[2-(2-chlorophenyl)-2-methoxyethyl]-4,4,4-trifluorobutanamide
CID 90623820
N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-2-(1,1-dioxothiolan-3-yl)sulfanylacetamide
CID 55407153
N-[(2R)-2-(2-chlorophenyl)-2-methoxyethyl]-2-naphthalen-1-ylacetamide
CID 99876133
N-[(2S)-2-(2-chlorophenyl)-2-methoxyethyl]-2-(2-methoxyphenoxy)acetamide
CID 99593313
N-[2-(2-chlorophenyl)-2-methoxyethyl]propan-2-amine
CID 62107818
N-[2-(2-chlorophenyl)-2-methoxyethyl]-2-methylsulfanylbenzamide
CID 90623724

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(2-chlorophenyl)-2-methoxyethyl]-2-cyclopentylsulfanylacetamide?
The IUPAC name of N-[(2S)-2-(2-chlorophenyl)-2-methoxyethyl]-2-cyclopentylsulfanylacetamide (CID 99876096) is N-[(2S)-2-(2-chlorophenyl)-2-methoxyethyl]-2-cyclopentylsulfanylacetamide.
What is the SMILES notation for N-[(2S)-2-(2-chlorophenyl)-2-methoxyethyl]-2-cyclopentylsulfanylacetamide?
The canonical SMILES for N-[(2S)-2-(2-chlorophenyl)-2-methoxyethyl]-2-cyclopentylsulfanylacetamide is CO[C@H](CNC(=O)CSC1CCCC1)c1ccccc1Cl.
What is the InChIKey of N-[(2S)-2-(2-chlorophenyl)-2-methoxyethyl]-2-cyclopentylsulfanylacetamide?
The InChIKey is OALDKDBCRYVJLY-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H22ClNO2S/c1-20-15(13-8-4-5-9-14(13)17)10-18-16(19)11-21-12-6-2-3-7-12/h4-5,8-9,12,15H,2-3,6-7,10-11H2,1H3,(H,18,19)/t15-/m1/s1.
What are the key properties of N-[(2S)-2-(2-chlorophenyl)-2-methoxyethyl]-2-cyclopentylsulfanylacetamide?
N-[(2S)-2-(2-chlorophenyl)-2-methoxyethyl]-2-cyclopentylsulfanylacetamide has a molecular weight of 327.88 g/mol, XLogP of 3.82, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(2-chlorophenyl)-2-methoxyethyl]-2-cyclopentylsulfanylacetamide is sourced from PubChem (CID 99876096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).