N-(5-chloro-2-methylphenyl)-2-[2-(4-methoxyphenoxy)ethylsulfanyl]propanamide

C19H22ClNO3S — CID 55436710

IUPACN-(5-chloro-2-methylphenyl)-2-[2-(4-methoxyphenoxy)ethylsulfanyl]propanamide
SMILESCOc1ccc(OCCSC(C)C(=O)Nc2cc(Cl)ccc2C)cc1
InChIInChI=1S/C19H22ClNO3S/c1-13-4-5-15(20)12-18(13)21-19(22)14(2)25-11-10-24-17-8-6-16(23-3)7-9-17/h4-9,12,14H,10-11H2,1-3H3,(H,21,22)
InChIKeyBYCWADCDIMTJEQ-UHFFFAOYSA-N
MW379.91 g/mol
LogP4.80
Rot. Bonds8

About N-(5-chloro-2-methylphenyl)-2-[2-(4-methoxyphenoxy)ethylsulfanyl]propanamide

N-(5-chloro-2-methylphenyl)-2-[2-(4-methoxyphenoxy)ethylsulfanyl]propanamide (PubChem CID 55436710) has the molecular formula C19H22ClNO3S and a molecular weight of 379.91 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-2-[2-(4-methoxyphenoxy)ethylsulfanyl]propanamide.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)-2-[2-(4-methoxyphenoxy)ethylsulfanyl]propanamide
PubChem CID55436710
Molecular FormulaC19H22ClNO3S
Molecular Weight379.91 g/mol
Exact Mass379.10
IUPAC NameN-(5-chloro-2-methylphenyl)-2-[2-(4-methoxyphenoxy)ethylsulfanyl]propanamide
SMILESCOc1ccc(OCCSC(C)C(=O)Nc2cc(Cl)ccc2C)cc1
InChIInChI=1S/C19H22ClNO3S/c1-13-4-5-15(20)12-18(13)21-19(22)14(2)25-11-10-24-17-8-6-16(23-3)7-9-17/h4-9,12,14H,10-11H2,1-3H3,(H,21,22)
InChIKeyBYCWADCDIMTJEQ-UHFFFAOYSA-N
XLogP4.80
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.91
LogP ≤ 54.80
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

(2S)-2-[2-(4-chlorophenoxy)ethylsulfanyl]-N-[2-(trifluoromethyl)phenyl]propanamide
CID 26632928
N-(5-chloro-2-methylphenyl)-2-[[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]propanamide
CID 55569744
N-(5-chloro-2-methylphenyl)-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylpropanamide
CID 55423839
[(2R)-1-(5-chloro-2-methylanilino)-1-oxopropan-2-yl] 2-(4-methoxyphenyl)sulfanylacetate
CID 8999028
(2S)-N-(5-chloro-2-methylphenyl)-2-(3,5-dimethoxyphenoxy)propanamide
CID 26564189
(2R)-N-(5-chloro-2-methylphenyl)-2-[[5-(4-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]propanamide
CID 8890501
(2R)-N-(4-chloro-2-methylphenyl)-2-(4-methoxyphenyl)sulfanylpropanamide
CID 32676805
2-(2-aminoethylsulfanyl)-N-(2,5-dimethylphenyl)propanamide
CID 82179912
N-cyclopentyl-2-[2-(4-methoxyphenoxy)ethylsulfanyl]propanamide
CID 60541932
[1-(5-chloro-2-methylanilino)-1-oxopropan-2-yl] 4-hexoxybenzoate
CID 5066963
N-[3-[1-(5-chloro-2-methylanilino)-1-oxopropan-2-yl]sulfanylphenyl]-4-methoxybenzamide
CID 18903534
(2R)-N-(5-chloro-2-methylphenyl)-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]propanamide
CID 34508270

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-2-[2-(4-methoxyphenoxy)ethylsulfanyl]propanamide?
The IUPAC name of N-(5-chloro-2-methylphenyl)-2-[2-(4-methoxyphenoxy)ethylsulfanyl]propanamide (CID 55436710) is N-(5-chloro-2-methylphenyl)-2-[2-(4-methoxyphenoxy)ethylsulfanyl]propanamide.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)-2-[2-(4-methoxyphenoxy)ethylsulfanyl]propanamide?
The canonical SMILES for N-(5-chloro-2-methylphenyl)-2-[2-(4-methoxyphenoxy)ethylsulfanyl]propanamide is COc1ccc(OCCSC(C)C(=O)Nc2cc(Cl)ccc2C)cc1.
What is the InChIKey of N-(5-chloro-2-methylphenyl)-2-[2-(4-methoxyphenoxy)ethylsulfanyl]propanamide?
The InChIKey is BYCWADCDIMTJEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClNO3S/c1-13-4-5-15(20)12-18(13)21-19(22)14(2)25-11-10-24-17-8-6-16(23-3)7-9-17/h4-9,12,14H,10-11H2,1-3H3,(H,21,22).
What are the key properties of N-(5-chloro-2-methylphenyl)-2-[2-(4-methoxyphenoxy)ethylsulfanyl]propanamide?
N-(5-chloro-2-methylphenyl)-2-[2-(4-methoxyphenoxy)ethylsulfanyl]propanamide has a molecular weight of 379.91 g/mol, XLogP of 4.80, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methylphenyl)-2-[2-(4-methoxyphenoxy)ethylsulfanyl]propanamide is sourced from PubChem (CID 55436710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).