N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]-4-phenoxybutanamide

C20H24N2O3S — CID 38764417

IUPACN-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]-4-phenoxybutanamide
SMILESCSc1ccccc1NC(=O)CN(C)C(=O)CCCOc1ccccc1
InChIInChI=1S/C20H24N2O3S/c1-22(15-19(23)21-17-11-6-7-12-18(17)26-2)20(24)13-8-14-25-16-9-4-3-5-10-16/h3-7,9-12H,8,13-15H2,1-2H3,(H,21,23)
InChIKeyIESNAQAIYICBTO-UHFFFAOYSA-N
MW372.49 g/mol
LogP3.66
Rot. Bonds9

About N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]-4-phenoxybutanamide

N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]-4-phenoxybutanamide (PubChem CID 38764417) has the molecular formula C20H24N2O3S and a molecular weight of 372.49 g/mol. Its IUPAC name is N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]-4-phenoxybutanamide.

Molecular Properties

Compound NameN-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]-4-phenoxybutanamide
PubChem CID38764417
Molecular FormulaC20H24N2O3S
Molecular Weight372.49 g/mol
Exact Mass372.15
IUPAC NameN-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]-4-phenoxybutanamide
SMILESCSc1ccccc1NC(=O)CN(C)C(=O)CCCOc1ccccc1
InChIInChI=1S/C20H24N2O3S/c1-22(15-19(23)21-17-11-6-7-12-18(17)26-2)20(24)13-8-14-25-16-9-4-3-5-10-16/h3-7,9-12H,8,13-15H2,1-2H3,(H,21,23)
InChIKeyIESNAQAIYICBTO-UHFFFAOYSA-N
XLogP3.66
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 53.66
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-methyl-4-(3-methylphenoxy)-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]butanamide
CID 40689264
N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]-4-naphthalen-1-yloxybutanamide
CID 55718491
N-[3-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]-3-oxopropyl]benzamide
CID 9417092
3-(2-ethoxyphenyl)-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]propanamide
CID 38766166
2-[[2-(3,5-dimethylphenoxy)acetyl]-methylamino]-N-(2-methylsulfanylphenyl)acetamide
CID 7780054
N-methyl-3-(4-methylphenyl)-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]propanamide
CID 38768176
3-(4-fluorophenoxy)-N-(2-methylsulfanylphenyl)propanamide
CID 31891666
2-[[2-[benzyl(methyl)amino]acetyl]-methylamino]-N-(2-methylsulfanylphenyl)acetamide
CID 51223505
(3S)-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]-3-phenylbutanamide
CID 38762946
2-[methyl-[3-(3-methylphenoxy)propyl]amino]-N-(2-methylsulfanylphenyl)acetamide
CID 8814616
N-methyl-3-(4-methylphenyl)sulfonyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]propanamide
CID 9416979
N-[2-(difluoromethylsulfanyl)phenyl]-4-phenoxybutanamide
CID 112766444

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]-4-phenoxybutanamide?
The IUPAC name of N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]-4-phenoxybutanamide (CID 38764417) is N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]-4-phenoxybutanamide.
What is the SMILES notation for N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]-4-phenoxybutanamide?
The canonical SMILES for N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]-4-phenoxybutanamide is CSc1ccccc1NC(=O)CN(C)C(=O)CCCOc1ccccc1.
What is the InChIKey of N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]-4-phenoxybutanamide?
The InChIKey is IESNAQAIYICBTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3S/c1-22(15-19(23)21-17-11-6-7-12-18(17)26-2)20(24)13-8-14-25-16-9-4-3-5-10-16/h3-7,9-12H,8,13-15H2,1-2H3,(H,21,23).
What are the key properties of N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]-4-phenoxybutanamide?
N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]-4-phenoxybutanamide has a molecular weight of 372.49 g/mol, XLogP of 3.66, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]-4-phenoxybutanamide is sourced from PubChem (CID 38764417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).