2-[2-(2-methoxyethylamino)-2-oxoethyl]sulfanyl-N-methyl-N-[(3-methylthiophen-2-yl)methyl]benzamide

C19H24N2O3S2 — CID 39948449

IUPAC2-[2-(2-methoxyethylamino)-2-oxoethyl]sulfanyl-N-methyl-N-[(3-methylthiophen-2-yl)methyl]benzamide
SMILESCOCCNC(=O)CSc1ccccc1C(=O)N(C)Cc1sccc1C
InChIInChI=1S/C19H24N2O3S2/c1-14-8-11-25-17(14)12-21(2)19(23)15-6-4-5-7-16(15)26-13-18(22)20-9-10-24-3/h4-8,11H,9-10,12-13H2,1-3H3,(H,20,22)
InChIKeyWCEOIUDZBOCARB-UHFFFAOYSA-N
MW392.55 g/mol
LogP3.18
Rot. Bonds9

About 2-[2-(2-methoxyethylamino)-2-oxoethyl]sulfanyl-N-methyl-N-[(3-methylthiophen-2-yl)methyl]benzamide

2-[2-(2-methoxyethylamino)-2-oxoethyl]sulfanyl-N-methyl-N-[(3-methylthiophen-2-yl)methyl]benzamide (PubChem CID 39948449) has the molecular formula C19H24N2O3S2 and a molecular weight of 392.55 g/mol. Its IUPAC name is 2-[2-(2-methoxyethylamino)-2-oxoethyl]sulfanyl-N-methyl-N-[(3-methylthiophen-2-yl)methyl]benzamide.

Molecular Properties

Compound Name2-[2-(2-methoxyethylamino)-2-oxoethyl]sulfanyl-N-methyl-N-[(3-methylthiophen-2-yl)methyl]benzamide
PubChem CID39948449
Molecular FormulaC19H24N2O3S2
Molecular Weight392.55 g/mol
Exact Mass392.12
IUPAC Name2-[2-(2-methoxyethylamino)-2-oxoethyl]sulfanyl-N-methyl-N-[(3-methylthiophen-2-yl)methyl]benzamide
SMILESCOCCNC(=O)CSc1ccccc1C(=O)N(C)Cc1sccc1C
InChIInChI=1S/C19H24N2O3S2/c1-14-8-11-25-17(14)12-21(2)19(23)15-6-4-5-7-16(15)26-13-18(22)20-9-10-24-3/h4-8,11H,9-10,12-13H2,1-3H3,(H,20,22)
InChIKeyWCEOIUDZBOCARB-UHFFFAOYSA-N
XLogP3.18
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.55
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[methyl-[(3-methylthiophen-2-yl)methyl]carbamoyl]benzoic acid
CID 60953427
N-(2-amino-2-methylpropyl)-2-[2-(2-methoxyethylamino)-2-oxoethyl]sulfanylbenzamide;hydrochloride
CID 119627706
2-[2-(2-methoxyethylamino)-2-oxoethyl]sulfanyl-N-(1-phenylethyl)benzamide
CID 55334460
2-(2-chlorophenyl)sulfanyl-N-(2-methoxyethyl)acetamide
CID 112778862
2-propan-2-yloxyethyl 2-[2-(2-methoxyethylamino)-2-oxoethyl]sulfanylbenzoate
CID 55356954
2-benzoyl-N-methyl-N-[(3-methylthiophen-2-yl)methyl]benzamide
CID 39951443
N-(4-iodophenyl)-2-[2-(2-methoxyethylamino)-2-oxoethyl]sulfanylbenzamide
CID 55342144
2-(cyclopentanecarbonylamino)ethyl 2-[2-(2-methoxyethylamino)-2-oxoethyl]sulfanylbenzoate
CID 71914780
N-(2-methoxyethyl)-2-[2-(4-methylpiperidine-1-carbonyl)phenyl]sulfanylacetamide
CID 34742424
N-[2-(4-chlorophenyl)ethyl]-2-[2-(2-methoxyethylamino)-2-oxoethyl]sulfanylbenzamide
CID 34666615
[(E)-3-phenylprop-2-enyl] 2-[2-(2-methoxyethylamino)-2-oxoethyl]sulfanylbenzoate
CID 42976494
[2-(cyclopropylamino)-2-oxoethyl] 2-[2-(2-methoxyethylamino)-2-oxoethyl]sulfanylbenzoate
CID 29174702

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methoxyethylamino)-2-oxoethyl]sulfanyl-N-methyl-N-[(3-methylthiophen-2-yl)methyl]benzamide?
The IUPAC name of 2-[2-(2-methoxyethylamino)-2-oxoethyl]sulfanyl-N-methyl-N-[(3-methylthiophen-2-yl)methyl]benzamide (CID 39948449) is 2-[2-(2-methoxyethylamino)-2-oxoethyl]sulfanyl-N-methyl-N-[(3-methylthiophen-2-yl)methyl]benzamide.
What is the SMILES notation for 2-[2-(2-methoxyethylamino)-2-oxoethyl]sulfanyl-N-methyl-N-[(3-methylthiophen-2-yl)methyl]benzamide?
The canonical SMILES for 2-[2-(2-methoxyethylamino)-2-oxoethyl]sulfanyl-N-methyl-N-[(3-methylthiophen-2-yl)methyl]benzamide is COCCNC(=O)CSc1ccccc1C(=O)N(C)Cc1sccc1C.
What is the InChIKey of 2-[2-(2-methoxyethylamino)-2-oxoethyl]sulfanyl-N-methyl-N-[(3-methylthiophen-2-yl)methyl]benzamide?
The InChIKey is WCEOIUDZBOCARB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3S2/c1-14-8-11-25-17(14)12-21(2)19(23)15-6-4-5-7-16(15)26-13-18(22)20-9-10-24-3/h4-8,11H,9-10,12-13H2,1-3H3,(H,20,22).
What are the key properties of 2-[2-(2-methoxyethylamino)-2-oxoethyl]sulfanyl-N-methyl-N-[(3-methylthiophen-2-yl)methyl]benzamide?
2-[2-(2-methoxyethylamino)-2-oxoethyl]sulfanyl-N-methyl-N-[(3-methylthiophen-2-yl)methyl]benzamide has a molecular weight of 392.55 g/mol, XLogP of 3.18, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methoxyethylamino)-2-oxoethyl]sulfanyl-N-methyl-N-[(3-methylthiophen-2-yl)methyl]benzamide is sourced from PubChem (CID 39948449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).