N-[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-4-phenylbenzamide

C21H20N2O2S — CID 38562903

IUPACN-[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-4-phenylbenzamide
SMILESCN(Cc1cccs1)C(=O)CNC(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C21H20N2O2S/c1-23(15-19-8-5-13-26-19)20(24)14-22-21(25)18-11-9-17(10-12-18)16-6-3-2-4-7-16/h2-13H,14-15H2,1H3,(H,22,25)
InChIKeyQXDAZDGQYXEYCO-UHFFFAOYSA-N
MW364.47 g/mol
LogP3.80
Rot. Bonds6

About N-[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-4-phenylbenzamide

N-[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-4-phenylbenzamide (PubChem CID 38562903) has the molecular formula C21H20N2O2S and a molecular weight of 364.47 g/mol. Its IUPAC name is N-[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-4-phenylbenzamide.

Molecular Properties

Compound NameN-[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-4-phenylbenzamide
PubChem CID38562903
Molecular FormulaC21H20N2O2S
Molecular Weight364.47 g/mol
Exact Mass364.12
IUPAC NameN-[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-4-phenylbenzamide
SMILESCN(Cc1cccs1)C(=O)CNC(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C21H20N2O2S/c1-23(15-19-8-5-13-26-19)20(24)14-22-21(25)18-11-9-17(10-12-18)16-6-3-2-4-7-16/h2-13H,14-15H2,1H3,(H,22,25)
InChIKeyQXDAZDGQYXEYCO-UHFFFAOYSA-N
XLogP3.80
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-N-[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]benzamide
CID 18114254
4-chloro-N-[3-[methyl(thiophen-2-ylmethyl)amino]-3-oxopropyl]benzamide
CID 7779935
N-cyclopropyl-4-[[methyl-[2-[(4-phenylbenzoyl)amino]acetyl]amino]methyl]benzamide
CID 33360987
N-[2-[1-hydroxybutan-2-yl(thiophen-2-ylmethyl)amino]-2-oxoethyl]benzamide
CID 46992278
N-[2-[(2,3-dimethoxyphenyl)methyl-methylamino]-2-oxoethyl]-4-phenylbenzamide
CID 9166749
4-tert-butyl-N-[2-oxo-2-[prop-2-enyl(thiophen-2-ylmethyl)amino]ethyl]benzamide
CID 31330549
[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] 2-[[4-(diethylsulfamoyl)benzoyl]amino]acetate
CID 55304134
2-ethyl-2-[[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]amino]butanoic acid
CID 79803856
4-[[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]amino]butanoic acid
CID 43473843
N-methyl-3-thiophen-2-yl-N-(thiophen-2-ylmethyl)propanamide
CID 110733634
[2-(dimethylamino)-2-oxoethyl] 2-[(4-phenylbenzoyl)amino]acetate
CID 8834418
N-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]benzamide
CID 27770371

Frequently Asked Questions

What is the IUPAC name of N-[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-4-phenylbenzamide?
The IUPAC name of N-[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-4-phenylbenzamide (CID 38562903) is N-[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-4-phenylbenzamide.
What is the SMILES notation for N-[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-4-phenylbenzamide?
The canonical SMILES for N-[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-4-phenylbenzamide is CN(Cc1cccs1)C(=O)CNC(=O)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-4-phenylbenzamide?
The InChIKey is QXDAZDGQYXEYCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O2S/c1-23(15-19-8-5-13-26-19)20(24)14-22-21(25)18-11-9-17(10-12-18)16-6-3-2-4-7-16/h2-13H,14-15H2,1H3,(H,22,25).
What are the key properties of N-[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-4-phenylbenzamide?
N-[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-4-phenylbenzamide has a molecular weight of 364.47 g/mol, XLogP of 3.80, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-4-phenylbenzamide is sourced from PubChem (CID 38562903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).