N-[2-(ethylamino)-2-oxoethyl]-4-(methylsulfonylmethyl)benzamide

C13H18N2O4S — CID 9224687

IUPACN-[2-(ethylamino)-2-oxoethyl]-4-(methylsulfonylmethyl)benzamide
SMILESCCNC(=O)CNC(=O)c1ccc(CS(C)(=O)=O)cc1
InChIInChI=1S/C13H18N2O4S/c1-3-14-12(16)8-15-13(17)11-6-4-10(5-7-11)9-20(2,18)19/h4-7H,3,8-9H2,1-2H3,(H,14,16)(H,15,17)
InChIKeyVNKOCJWZWPCVPU-UHFFFAOYSA-N
MW298.36 g/mol
LogP0.10
Rot. Bonds6

About N-[2-(ethylamino)-2-oxoethyl]-4-(methylsulfonylmethyl)benzamide

N-[2-(ethylamino)-2-oxoethyl]-4-(methylsulfonylmethyl)benzamide (PubChem CID 9224687) has the molecular formula C13H18N2O4S and a molecular weight of 298.36 g/mol. Its IUPAC name is N-[2-(ethylamino)-2-oxoethyl]-4-(methylsulfonylmethyl)benzamide.

Molecular Properties

Compound NameN-[2-(ethylamino)-2-oxoethyl]-4-(methylsulfonylmethyl)benzamide
PubChem CID9224687
Molecular FormulaC13H18N2O4S
Molecular Weight298.36 g/mol
Exact Mass298.10
IUPAC NameN-[2-(ethylamino)-2-oxoethyl]-4-(methylsulfonylmethyl)benzamide
SMILESCCNC(=O)CNC(=O)c1ccc(CS(C)(=O)=O)cc1
InChIInChI=1S/C13H18N2O4S/c1-3-14-12(16)8-15-13(17)11-6-4-10(5-7-11)9-20(2,18)19/h4-7H,3,8-9H2,1-2H3,(H,14,16)(H,15,17)
InChIKeyVNKOCJWZWPCVPU-UHFFFAOYSA-N
XLogP0.10
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[2-(ethylamino)-2-oxoethyl]-4-(methylsulfonylmethyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(methylsulfonylmethyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 9301361
4-(bromomethyl)-N-[2-(ethylamino)-2-oxoethyl]benzamide
CID 102851007
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-4-(methylsulfonylmethyl)benzamide
CID 27760143
4-amino-N-[2-(ethylamino)-2-oxoethyl]benzamide;hydrochloride
CID 119689751
N-[2-(3,4-difluoroanilino)-2-oxoethyl]-4-(methylsulfonylmethyl)benzamide
CID 17483539
4-(methylsulfonylmethyl)-N-prop-2-enylbenzamide
CID 9442194
N-(3-acetamidopropyl)-4-(methylsulfonylmethyl)benzamide
CID 38449785
N-[2-(2-hydroxyethoxy)ethyl]-4-(methylsulfonylmethyl)benzamide
CID 60742768
N-(3-hydroxypentyl)-4-(methylsulfonylmethyl)benzamide
CID 115703580
N-(3-hydroxy-2-methylpropyl)-4-(methylsulfonylmethyl)benzamide
CID 65031706
N-[[4-(diethylaminomethyl)phenyl]methyl]-4-(methylsulfonylmethyl)benzamide
CID 8948215
4-(methylsulfonylmethyl)-N-propan-2-ylbenzamide
CID 27648016

Frequently Asked Questions

What is the IUPAC name of N-[2-(ethylamino)-2-oxoethyl]-4-(methylsulfonylmethyl)benzamide?
The IUPAC name of N-[2-(ethylamino)-2-oxoethyl]-4-(methylsulfonylmethyl)benzamide (CID 9224687) is N-[2-(ethylamino)-2-oxoethyl]-4-(methylsulfonylmethyl)benzamide.
What is the SMILES notation for N-[2-(ethylamino)-2-oxoethyl]-4-(methylsulfonylmethyl)benzamide?
The canonical SMILES for N-[2-(ethylamino)-2-oxoethyl]-4-(methylsulfonylmethyl)benzamide is CCNC(=O)CNC(=O)c1ccc(CS(C)(=O)=O)cc1.
What is the InChIKey of N-[2-(ethylamino)-2-oxoethyl]-4-(methylsulfonylmethyl)benzamide?
The InChIKey is VNKOCJWZWPCVPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4S/c1-3-14-12(16)8-15-13(17)11-6-4-10(5-7-11)9-20(2,18)19/h4-7H,3,8-9H2,1-2H3,(H,14,16)(H,15,17).
What are the key properties of N-[2-(ethylamino)-2-oxoethyl]-4-(methylsulfonylmethyl)benzamide?
N-[2-(ethylamino)-2-oxoethyl]-4-(methylsulfonylmethyl)benzamide has a molecular weight of 298.36 g/mol, XLogP of 0.10, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(ethylamino)-2-oxoethyl]-4-(methylsulfonylmethyl)benzamide is sourced from PubChem (CID 9224687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).