3-(2-amino-2-oxoethoxy)-N-methyl-N-[(4-methylsulfanylphenyl)methyl]benzamide

C18H20N2O3S — CID 35689866

IUPAC3-(2-amino-2-oxoethoxy)-N-methyl-N-[(4-methylsulfanylphenyl)methyl]benzamide
SMILESCSc1ccc(CN(C)C(=O)c2cccc(OCC(N)=O)c2)cc1
InChIInChI=1S/C18H20N2O3S/c1-20(11-13-6-8-16(24-2)9-7-13)18(22)14-4-3-5-15(10-14)23-12-17(19)21/h3-10H,11-12H2,1-2H3,(H2,19,21)
InChIKeyBALBNQDWCWWHGK-UHFFFAOYSA-N
MW344.44 g/mol
LogP2.54
Rot. Bonds7

About 3-(2-amino-2-oxoethoxy)-N-methyl-N-[(4-methylsulfanylphenyl)methyl]benzamide

3-(2-amino-2-oxoethoxy)-N-methyl-N-[(4-methylsulfanylphenyl)methyl]benzamide (PubChem CID 35689866) has the molecular formula C18H20N2O3S and a molecular weight of 344.44 g/mol. Its IUPAC name is 3-(2-amino-2-oxoethoxy)-N-methyl-N-[(4-methylsulfanylphenyl)methyl]benzamide.

Molecular Properties

Compound Name3-(2-amino-2-oxoethoxy)-N-methyl-N-[(4-methylsulfanylphenyl)methyl]benzamide
PubChem CID35689866
Molecular FormulaC18H20N2O3S
Molecular Weight344.44 g/mol
Exact Mass344.12
IUPAC Name3-(2-amino-2-oxoethoxy)-N-methyl-N-[(4-methylsulfanylphenyl)methyl]benzamide
SMILESCSc1ccc(CN(C)C(=O)c2cccc(OCC(N)=O)c2)cc1
InChIInChI=1S/C18H20N2O3S/c1-20(11-13-6-8-16(24-2)9-7-13)18(22)14-4-3-5-15(10-14)23-12-17(19)21/h3-10H,11-12H2,1-2H3,(H2,19,21)
InChIKeyBALBNQDWCWWHGK-UHFFFAOYSA-N
XLogP2.54
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-amino-2-oxoethoxy)-N-[(3-methoxyphenyl)methyl]-N-methylbenzamide
CID 166194594
N-benzyl-N-methyl-3-(2-phenylethoxy)benzamide
CID 17134261
2-(aminomethyl)-N-methyl-N-[(4-methylsulfanylphenyl)methyl]pyridine-4-carboxamide
CID 114325943
3-(methanesulfonamido)-N-methyl-N-[(4-methylsulfanylphenyl)methyl]benzamide
CID 24673390
N-benzyl-N-methyl-4-methylsulfanylbenzamide
CID 78791696
4-ethoxy-3-methoxy-N-methyl-N-[(4-methylsulfanylphenyl)methyl]benzamide
CID 78771375
N-methyl-N-[(4-methylsulfanylphenyl)methyl]-3-(propan-2-ylsulfamoyl)benzamide
CID 26619244
3-(cyclopropanecarbonylamino)-N-methyl-N-[(4-methylsulfanylphenyl)methyl]benzamide
CID 36784446
3-(2-amino-2-oxoethoxy)benzoic acid
CID 961591
3-methoxy-N-[(3-methoxyphenyl)methyl]-N-methylbenzamide
CID 22070414
3-[2-(dimethylamino)-2-oxoethoxy]-N-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 87002102
3-[(dimethylamino)methyl]-N-methyl-N-[(3-methylsulfanylphenyl)methyl]benzamide
CID 74246309

Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-2-oxoethoxy)-N-methyl-N-[(4-methylsulfanylphenyl)methyl]benzamide?
The IUPAC name of 3-(2-amino-2-oxoethoxy)-N-methyl-N-[(4-methylsulfanylphenyl)methyl]benzamide (CID 35689866) is 3-(2-amino-2-oxoethoxy)-N-methyl-N-[(4-methylsulfanylphenyl)methyl]benzamide.
What is the SMILES notation for 3-(2-amino-2-oxoethoxy)-N-methyl-N-[(4-methylsulfanylphenyl)methyl]benzamide?
The canonical SMILES for 3-(2-amino-2-oxoethoxy)-N-methyl-N-[(4-methylsulfanylphenyl)methyl]benzamide is CSc1ccc(CN(C)C(=O)c2cccc(OCC(N)=O)c2)cc1.
What is the InChIKey of 3-(2-amino-2-oxoethoxy)-N-methyl-N-[(4-methylsulfanylphenyl)methyl]benzamide?
The InChIKey is BALBNQDWCWWHGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3S/c1-20(11-13-6-8-16(24-2)9-7-13)18(22)14-4-3-5-15(10-14)23-12-17(19)21/h3-10H,11-12H2,1-2H3,(H2,19,21).
What are the key properties of 3-(2-amino-2-oxoethoxy)-N-methyl-N-[(4-methylsulfanylphenyl)methyl]benzamide?
3-(2-amino-2-oxoethoxy)-N-methyl-N-[(4-methylsulfanylphenyl)methyl]benzamide has a molecular weight of 344.44 g/mol, XLogP of 2.54, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-2-oxoethoxy)-N-methyl-N-[(4-methylsulfanylphenyl)methyl]benzamide is sourced from PubChem (CID 35689866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).