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

C20H24N2O3S — CID 44639859

IUPACN-(2,5-dimethylphenyl)-2-[2-(2-methoxyanilino)-2-oxoethyl]sulfanylpropanamide
SMILESCOc1ccccc1NC(=O)CSC(C)C(=O)Nc1cc(C)ccc1C
InChIInChI=1S/C20H24N2O3S/c1-13-9-10-14(2)17(11-13)22-20(24)15(3)26-12-19(23)21-16-7-5-6-8-18(16)25-4/h5-11,15H,12H2,1-4H3,(H,21,23)(H,22,24)
InChIKeyOQGNGUSJXKEGLE-UHFFFAOYSA-N
MW372.49 g/mol
LogP4.01
Rot. Bonds7

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

N-(2,5-dimethylphenyl)-2-[2-(2-methoxyanilino)-2-oxoethyl]sulfanylpropanamide (PubChem CID 44639859) has the molecular formula C20H24N2O3S and a molecular weight of 372.49 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-2-[2-(2-methoxyanilino)-2-oxoethyl]sulfanylpropanamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-2-[2-(2-methoxyanilino)-2-oxoethyl]sulfanylpropanamide
PubChem CID44639859
Molecular FormulaC20H24N2O3S
Molecular Weight372.49 g/mol
Exact Mass372.15
IUPAC NameN-(2,5-dimethylphenyl)-2-[2-(2-methoxyanilino)-2-oxoethyl]sulfanylpropanamide
SMILESCOc1ccccc1NC(=O)CSC(C)C(=O)Nc1cc(C)ccc1C
InChIInChI=1S/C20H24N2O3S/c1-13-9-10-14(2)17(11-13)22-20(24)15(3)26-12-19(23)21-16-7-5-6-8-18(16)25-4/h5-11,15H,12H2,1-4H3,(H,21,23)(H,22,24)
InChIKeyOQGNGUSJXKEGLE-UHFFFAOYSA-N
XLogP4.01
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(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
(2R)-2-[2-(2-ethoxyanilino)-2-oxoethyl]sulfanyl-N-(2-methoxyphenyl)propanamide
CID 1412136
N-(3,5-dichlorophenyl)-2-[2-(2-methoxyanilino)-2-oxoethyl]sulfanylpropanamide
CID 44639868
(2R)-N-(2,6-diethylphenyl)-2-[2-(2-methoxyanilino)-2-oxoethyl]sulfanylpropanamide
CID 7731733
N-(2,5-dimethylphenyl)-2-(2-methoxyanilino)propanamide
CID 46747955
(2S)-N-(4-chlorophenyl)-2-[2-(2-methoxyanilino)-2-oxoethyl]sulfanylpropanamide
CID 7731710
2-(2,5-dimethylanilino)-N-(2-methoxyphenyl)acetamide
CID 9079653
(2S)-N-(2,5-dimethylphenyl)-2-[2-(4-ethylanilino)-2-oxoethyl]sulfanylpropanamide
CID 7729734
(2R)-2-[2-(2-ethoxyanilino)-2-oxoethyl]sulfanyl-N-(2,4,6-trimethylphenyl)propanamide
CID 1412138
(2S)-2-[2-(4-ethoxyanilino)-2-oxoethyl]sulfanyl-N-(2-methoxyphenyl)propanamide
CID 7730463
N-(2,5-dimethylphenyl)-2-[3-[(2-methoxyphenyl)carbamothioylamino]phenyl]sulfanylpropanamide
CID 19316847

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-2-[2-(2-methoxyanilino)-2-oxoethyl]sulfanylpropanamide?
The IUPAC name of N-(2,5-dimethylphenyl)-2-[2-(2-methoxyanilino)-2-oxoethyl]sulfanylpropanamide (CID 44639859) is N-(2,5-dimethylphenyl)-2-[2-(2-methoxyanilino)-2-oxoethyl]sulfanylpropanamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-2-[2-(2-methoxyanilino)-2-oxoethyl]sulfanylpropanamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-2-[2-(2-methoxyanilino)-2-oxoethyl]sulfanylpropanamide is COc1ccccc1NC(=O)CSC(C)C(=O)Nc1cc(C)ccc1C.
What is the InChIKey of N-(2,5-dimethylphenyl)-2-[2-(2-methoxyanilino)-2-oxoethyl]sulfanylpropanamide?
The InChIKey is OQGNGUSJXKEGLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3S/c1-13-9-10-14(2)17(11-13)22-20(24)15(3)26-12-19(23)21-16-7-5-6-8-18(16)25-4/h5-11,15H,12H2,1-4H3,(H,21,23)(H,22,24).
What are the key properties of N-(2,5-dimethylphenyl)-2-[2-(2-methoxyanilino)-2-oxoethyl]sulfanylpropanamide?
N-(2,5-dimethylphenyl)-2-[2-(2-methoxyanilino)-2-oxoethyl]sulfanylpropanamide has a molecular weight of 372.49 g/mol, XLogP of 4.01, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-2-[2-(2-methoxyanilino)-2-oxoethyl]sulfanylpropanamide is sourced from PubChem (CID 44639859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).