(2S)-N-(3-chloro-2-methylphenyl)-2-[2-(4-cyanophenoxy)ethylsulfanyl]propanamide

C19H19ClN2O2S — CID 26636473

IUPAC(2S)-N-(3-chloro-2-methylphenyl)-2-[2-(4-cyanophenoxy)ethylsulfanyl]propanamide
SMILESCc1c(Cl)cccc1NC(=O)[C@H](C)SCCOc1ccc(C#N)cc1
InChIInChI=1S/C19H19ClN2O2S/c1-13-17(20)4-3-5-18(13)22-19(23)14(2)25-11-10-24-16-8-6-15(12-21)7-9-16/h3-9,14H,10-11H2,1-2H3,(H,22,23)/t14-/m0/s1
InChIKeyXMOOMDRIDDDKGW-AWEZNQCLSA-N
MW374.89 g/mol
LogP4.66
Rot. Bonds7

About (2S)-N-(3-chloro-2-methylphenyl)-2-[2-(4-cyanophenoxy)ethylsulfanyl]propanamide

(2S)-N-(3-chloro-2-methylphenyl)-2-[2-(4-cyanophenoxy)ethylsulfanyl]propanamide (PubChem CID 26636473) has the molecular formula C19H19ClN2O2S and a molecular weight of 374.89 g/mol. Its IUPAC name is (2S)-N-(3-chloro-2-methylphenyl)-2-[2-(4-cyanophenoxy)ethylsulfanyl]propanamide.

Molecular Properties

Compound Name(2S)-N-(3-chloro-2-methylphenyl)-2-[2-(4-cyanophenoxy)ethylsulfanyl]propanamide
PubChem CID26636473
Molecular FormulaC19H19ClN2O2S
Molecular Weight374.89 g/mol
Exact Mass374.09
IUPAC Name(2S)-N-(3-chloro-2-methylphenyl)-2-[2-(4-cyanophenoxy)ethylsulfanyl]propanamide
SMILESCc1c(Cl)cccc1NC(=O)[C@H](C)SCCOc1ccc(C#N)cc1
InChIInChI=1S/C19H19ClN2O2S/c1-13-17(20)4-3-5-18(13)22-19(23)14(2)25-11-10-24-16-8-6-15(12-21)7-9-16/h3-9,14H,10-11H2,1-2H3,(H,22,23)/t14-/m0/s1
InChIKeyXMOOMDRIDDDKGW-AWEZNQCLSA-N
XLogP4.66
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.89
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-chloro-2-methylphenyl)-2-[2-(4-cyanophenoxy)ethylsulfanyl]propanamide
CID 46634146
[(2S)-1-(3-chloro-2-methylanilino)-1-oxopropan-2-yl] (2R)-2-(4-cyanophenoxy)propanoate
CID 8855488
(2S)-2-[2-(4-chlorophenoxy)ethylsulfanyl]-N-[2-(trifluoromethyl)phenyl]propanamide
CID 26632928
(2R)-2-[3-(4-chlorophenoxy)propylsulfanyl]-N-(2,6-dichlorophenyl)propanamide
CID 41259550
N-(5-chloro-2-methylphenyl)-2-[2-(4-methoxyphenoxy)ethylsulfanyl]propanamide
CID 55436710
(2S)-N-(3-chloro-2-methylphenyl)-2-(4-methoxyphenyl)sulfanylpropanamide
CID 27971654
N-(3-chloro-2-methylphenyl)-2-methylpropanamide
CID 2057455
2-[(3-bromophenyl)methylsulfanyl]-N-(3-chloro-2-methylphenyl)propanamide
CID 47011598
N-phenyl-2-[2-(4-propoxyphenoxy)ethylsulfanyl]propanamide
CID 43041762
N-(3-chloro-2-methylphenyl)-N'-(4-cyanophenyl)-2,2-dimethylpropanediamide
CID 108969063
N-(3-chloro-2-methylphenyl)-2-sulfanylpropanamide
CID 83768417
N-(3-acetamido-2-methylphenyl)-2-(4-cyanophenoxy)acetamide
CID 134019347

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(3-chloro-2-methylphenyl)-2-[2-(4-cyanophenoxy)ethylsulfanyl]propanamide?
The IUPAC name of (2S)-N-(3-chloro-2-methylphenyl)-2-[2-(4-cyanophenoxy)ethylsulfanyl]propanamide (CID 26636473) is (2S)-N-(3-chloro-2-methylphenyl)-2-[2-(4-cyanophenoxy)ethylsulfanyl]propanamide.
What is the SMILES notation for (2S)-N-(3-chloro-2-methylphenyl)-2-[2-(4-cyanophenoxy)ethylsulfanyl]propanamide?
The canonical SMILES for (2S)-N-(3-chloro-2-methylphenyl)-2-[2-(4-cyanophenoxy)ethylsulfanyl]propanamide is Cc1c(Cl)cccc1NC(=O)[C@H](C)SCCOc1ccc(C#N)cc1.
What is the InChIKey of (2S)-N-(3-chloro-2-methylphenyl)-2-[2-(4-cyanophenoxy)ethylsulfanyl]propanamide?
The InChIKey is XMOOMDRIDDDKGW-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H19ClN2O2S/c1-13-17(20)4-3-5-18(13)22-19(23)14(2)25-11-10-24-16-8-6-15(12-21)7-9-16/h3-9,14H,10-11H2,1-2H3,(H,22,23)/t14-/m0/s1.
What are the key properties of (2S)-N-(3-chloro-2-methylphenyl)-2-[2-(4-cyanophenoxy)ethylsulfanyl]propanamide?
(2S)-N-(3-chloro-2-methylphenyl)-2-[2-(4-cyanophenoxy)ethylsulfanyl]propanamide has a molecular weight of 374.89 g/mol, XLogP of 4.66, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(3-chloro-2-methylphenyl)-2-[2-(4-cyanophenoxy)ethylsulfanyl]propanamide is sourced from PubChem (CID 26636473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).