N-(3,5-dichlorophenyl)-2-[2-(2-methoxyanilino)-2-oxoethyl]sulfanylpropanamide

C18H18Cl2N2O3S — CID 44639868

IUPACN-(3,5-dichlorophenyl)-2-[2-(2-methoxyanilino)-2-oxoethyl]sulfanylpropanamide
SMILESCOc1ccccc1NC(=O)CSC(C)C(=O)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C18H18Cl2N2O3S/c1-11(18(24)21-14-8-12(19)7-13(20)9-14)26-10-17(23)22-15-5-3-4-6-16(15)25-2/h3-9,11H,10H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyVAGYXGMXWMJPIS-UHFFFAOYSA-N
MW413.33 g/mol
LogP4.70
Rot. Bonds7

About N-(3,5-dichlorophenyl)-2-[2-(2-methoxyanilino)-2-oxoethyl]sulfanylpropanamide

N-(3,5-dichlorophenyl)-2-[2-(2-methoxyanilino)-2-oxoethyl]sulfanylpropanamide (PubChem CID 44639868) has the molecular formula C18H18Cl2N2O3S and a molecular weight of 413.33 g/mol. Its IUPAC name is N-(3,5-dichlorophenyl)-2-[2-(2-methoxyanilino)-2-oxoethyl]sulfanylpropanamide.

Molecular Properties

Compound NameN-(3,5-dichlorophenyl)-2-[2-(2-methoxyanilino)-2-oxoethyl]sulfanylpropanamide
PubChem CID44639868
Molecular FormulaC18H18Cl2N2O3S
Molecular Weight413.33 g/mol
Exact Mass412.04
IUPAC NameN-(3,5-dichlorophenyl)-2-[2-(2-methoxyanilino)-2-oxoethyl]sulfanylpropanamide
SMILESCOc1ccccc1NC(=O)CSC(C)C(=O)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C18H18Cl2N2O3S/c1-11(18(24)21-14-8-12(19)7-13(20)9-14)26-10-17(23)22-15-5-3-4-6-16(15)25-2/h3-9,11H,10H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyVAGYXGMXWMJPIS-UHFFFAOYSA-N
XLogP4.70
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.33
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-(4-chlorophenyl)-2-[2-(2-methoxyanilino)-2-oxoethyl]sulfanylpropanamide
CID 7731710
(2R)-N-(3-chloro-4-methylphenyl)-2-[2-(2-methoxyanilino)-2-oxoethyl]sulfanylpropanamide
CID 7731757
N-(3-chloro-4-methylphenyl)-2-[2-(2-methoxyanilino)-2-oxoethyl]sulfanylpropanamide
CID 44639864
2-(2-anilino-2-oxoethyl)sulfanyl-N-(3,5-dichlorophenyl)propanamide
CID 44639776
(2R)-N-(3-chloro-4-methoxyphenyl)-2-[2-(2-ethoxyanilino)-2-oxoethyl]sulfanylpropanamide
CID 1412146
(2R)-2-[2-(2-ethoxyanilino)-2-oxoethyl]sulfanyl-N-(2-methoxyphenyl)propanamide
CID 1412136
(2R)-N-(2,6-diethylphenyl)-2-[2-(2-methoxyanilino)-2-oxoethyl]sulfanylpropanamide
CID 7731733
N-(2,5-dimethylphenyl)-2-[2-(2-methoxyanilino)-2-oxoethyl]sulfanylpropanamide
CID 44639859
(2S)-2-[2-(4-ethoxyanilino)-2-oxoethyl]sulfanyl-N-(2-methoxyphenyl)propanamide
CID 7730463
(2S)-2-[2-(2-ethoxyanilino)-2-oxoethyl]sulfanyl-N-phenylpropanamide
CID 1412115
(2R)-2-[(3-chlorophenyl)methylsulfanyl]-N-(2-methoxyphenyl)propanamide
CID 94038324
(2R)-2-[2-(2-ethoxyanilino)-2-oxoethyl]sulfanyl-N-(4-fluorophenyl)propanamide
CID 1412133

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichlorophenyl)-2-[2-(2-methoxyanilino)-2-oxoethyl]sulfanylpropanamide?
The IUPAC name of N-(3,5-dichlorophenyl)-2-[2-(2-methoxyanilino)-2-oxoethyl]sulfanylpropanamide (CID 44639868) is N-(3,5-dichlorophenyl)-2-[2-(2-methoxyanilino)-2-oxoethyl]sulfanylpropanamide.
What is the SMILES notation for N-(3,5-dichlorophenyl)-2-[2-(2-methoxyanilino)-2-oxoethyl]sulfanylpropanamide?
The canonical SMILES for N-(3,5-dichlorophenyl)-2-[2-(2-methoxyanilino)-2-oxoethyl]sulfanylpropanamide is COc1ccccc1NC(=O)CSC(C)C(=O)Nc1cc(Cl)cc(Cl)c1.
What is the InChIKey of N-(3,5-dichlorophenyl)-2-[2-(2-methoxyanilino)-2-oxoethyl]sulfanylpropanamide?
The InChIKey is VAGYXGMXWMJPIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl2N2O3S/c1-11(18(24)21-14-8-12(19)7-13(20)9-14)26-10-17(23)22-15-5-3-4-6-16(15)25-2/h3-9,11H,10H2,1-2H3,(H,21,24)(H,22,23).
What are the key properties of N-(3,5-dichlorophenyl)-2-[2-(2-methoxyanilino)-2-oxoethyl]sulfanylpropanamide?
N-(3,5-dichlorophenyl)-2-[2-(2-methoxyanilino)-2-oxoethyl]sulfanylpropanamide has a molecular weight of 413.33 g/mol, XLogP of 4.70, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichlorophenyl)-2-[2-(2-methoxyanilino)-2-oxoethyl]sulfanylpropanamide is sourced from PubChem (CID 44639868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).