N-[4-chloro-3-[[(S)-methylsulfinyl]methyl]phenyl]-2-cyclopentyloxyacetamide

C15H20ClNO3S — CID 96551042

IUPACN-[4-chloro-3-[[(S)-methylsulfinyl]methyl]phenyl]-2-cyclopentyloxyacetamide
SMILESC[S@](=O)Cc1cc(NC(=O)COC2CCCC2)ccc1Cl
InChIInChI=1S/C15H20ClNO3S/c1-21(19)10-11-8-12(6-7-14(11)16)17-15(18)9-20-13-4-2-3-5-13/h6-8,13H,2-5,9-10H2,1H3,(H,17,18)/t21-/m0/s1
InChIKeyHRIMEJJGIYTJIR-NRFANRHFSA-N
MW329.85 g/mol
LogP3.12
Rot. Bonds6

About N-[4-chloro-3-[[(S)-methylsulfinyl]methyl]phenyl]-2-cyclopentyloxyacetamide

N-[4-chloro-3-[[(S)-methylsulfinyl]methyl]phenyl]-2-cyclopentyloxyacetamide (PubChem CID 96551042) has the molecular formula C15H20ClNO3S and a molecular weight of 329.85 g/mol. Its IUPAC name is N-[4-chloro-3-[[(S)-methylsulfinyl]methyl]phenyl]-2-cyclopentyloxyacetamide.

Molecular Properties

Compound NameN-[4-chloro-3-[[(S)-methylsulfinyl]methyl]phenyl]-2-cyclopentyloxyacetamide
PubChem CID96551042
Molecular FormulaC15H20ClNO3S
Molecular Weight329.85 g/mol
Exact Mass329.09
IUPAC NameN-[4-chloro-3-[[(S)-methylsulfinyl]methyl]phenyl]-2-cyclopentyloxyacetamide
SMILESC[S@](=O)Cc1cc(NC(=O)COC2CCCC2)ccc1Cl
InChIInChI=1S/C15H20ClNO3S/c1-21(19)10-11-8-12(6-7-14(11)16)17-15(18)9-20-13-4-2-3-5-13/h6-8,13H,2-5,9-10H2,1H3,(H,17,18)/t21-/m0/s1
InChIKeyHRIMEJJGIYTJIR-NRFANRHFSA-N
XLogP3.12
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.85
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-amino-4-chlorophenyl)-2-cyclopentyloxyacetamide
CID 16794185
4-chloro-N-cyclopentyl-3-(methylsulfinylmethyl)aniline
CID 86787784
N-[4-chloro-3-(methylsulfinylmethyl)phenyl]-2-(1-hydroxycyclohexyl)acetamide
CID 111520506
7-amino-N-[4-chloro-3-(methylsulfinylmethyl)phenyl]heptanamide
CID 119790101
4-amino-N-[4-chloro-3-(methylsulfinylmethyl)phenyl]butanamide;hydrochloride
CID 119327327
3-amino-N-[4-chloro-3-(methylsulfinylmethyl)phenyl]cyclohexane-1-carboxamide;hydrochloride
CID 119790110
N-(3-amino-4-chlorophenyl)-2-(4,4-dimethylcyclohexyl)oxyacetamide
CID 114340622
N-(4-aminophenyl)-2-cyclopentyloxyacetamide
CID 16783535
1-amino-N-[4-chloro-3-(methylsulfinylmethyl)phenyl]cyclopropane-1-carboxamide;hydrochloride
CID 119790098
N-[4-chloro-3-(methylsulfinylmethyl)phenyl]oxan-3-amine
CID 91660373
4-chloro-3-[(2-cyclohexyloxyacetyl)amino]-N-methylbenzamide
CID 87004616
N-(2-chlorophenyl)-2-cyclohexyloxyacetamide
CID 87000449

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-[[(S)-methylsulfinyl]methyl]phenyl]-2-cyclopentyloxyacetamide?
The IUPAC name of N-[4-chloro-3-[[(S)-methylsulfinyl]methyl]phenyl]-2-cyclopentyloxyacetamide (CID 96551042) is N-[4-chloro-3-[[(S)-methylsulfinyl]methyl]phenyl]-2-cyclopentyloxyacetamide.
What is the SMILES notation for N-[4-chloro-3-[[(S)-methylsulfinyl]methyl]phenyl]-2-cyclopentyloxyacetamide?
The canonical SMILES for N-[4-chloro-3-[[(S)-methylsulfinyl]methyl]phenyl]-2-cyclopentyloxyacetamide is C[S@](=O)Cc1cc(NC(=O)COC2CCCC2)ccc1Cl.
What is the InChIKey of N-[4-chloro-3-[[(S)-methylsulfinyl]methyl]phenyl]-2-cyclopentyloxyacetamide?
The InChIKey is HRIMEJJGIYTJIR-NRFANRHFSA-N. The full InChI is InChI=1S/C15H20ClNO3S/c1-21(19)10-11-8-12(6-7-14(11)16)17-15(18)9-20-13-4-2-3-5-13/h6-8,13H,2-5,9-10H2,1H3,(H,17,18)/t21-/m0/s1.
What are the key properties of N-[4-chloro-3-[[(S)-methylsulfinyl]methyl]phenyl]-2-cyclopentyloxyacetamide?
N-[4-chloro-3-[[(S)-methylsulfinyl]methyl]phenyl]-2-cyclopentyloxyacetamide has a molecular weight of 329.85 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-[[(S)-methylsulfinyl]methyl]phenyl]-2-cyclopentyloxyacetamide is sourced from PubChem (CID 96551042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).