2-ethyl-N-methyl-N-(3-methylsulfonylpropyl)benzamide

C14H21NO3S — CID 84591945

IUPAC2-ethyl-N-methyl-N-(3-methylsulfonylpropyl)benzamide
SMILESCCc1ccccc1C(=O)N(C)CCCS(C)(=O)=O
InChIInChI=1S/C14H21NO3S/c1-4-12-8-5-6-9-13(12)14(16)15(2)10-7-11-19(3,17)18/h5-6,8-9H,4,7,10-11H2,1-3H3
InChIKeyAPPBLXNVNQXVBT-UHFFFAOYSA-N
MW283.39 g/mol
LogP1.76
Rot. Bonds6

About 2-ethyl-N-methyl-N-(3-methylsulfonylpropyl)benzamide

2-ethyl-N-methyl-N-(3-methylsulfonylpropyl)benzamide (PubChem CID 84591945) has the molecular formula C14H21NO3S and a molecular weight of 283.39 g/mol. Its IUPAC name is 2-ethyl-N-methyl-N-(3-methylsulfonylpropyl)benzamide.

Molecular Properties

Compound Name2-ethyl-N-methyl-N-(3-methylsulfonylpropyl)benzamide
PubChem CID84591945
Molecular FormulaC14H21NO3S
Molecular Weight283.39 g/mol
Exact Mass283.12
IUPAC Name2-ethyl-N-methyl-N-(3-methylsulfonylpropyl)benzamide
SMILESCCc1ccccc1C(=O)N(C)CCCS(C)(=O)=O
InChIInChI=1S/C14H21NO3S/c1-4-12-8-5-6-9-13(12)14(16)15(2)10-7-11-19(3,17)18/h5-6,8-9H,4,7,10-11H2,1-3H3
InChIKeyAPPBLXNVNQXVBT-UHFFFAOYSA-N
XLogP1.76
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.39
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(dimethylamino)-N-methyl-N-(3-methylsulfonylpropyl)benzamide
CID 84592083
N-methyl-2-[2-(methylamino)ethyl]-N-[3-(methylamino)propyl]benzamide
CID 104548124
N-methyl-2-(methylamino)-N-pentylbenzamide
CID 61375902
3-amino-N,2-dimethyl-N-(2-methylsulfonylethyl)benzamide
CID 79842599
3-fluoro-N-methyl-2-(methylamino)-N-(2-methylsulfonylethyl)benzamide
CID 79864806
N-methyl-N-(3-methylsulfonylpropyl)acetamide
CID 23402949
3-fluoro-2-hydrazinyl-N-methyl-N-(2-methylsulfonylethyl)benzamide
CID 79865248
2-ethylsulfonyl-N-(5-hydroxypentyl)-N-methylbenzamide
CID 107202478
2-hydroxy-3-methoxy-N-methyl-N-(2-methylsulfonylethyl)benzamide
CID 78924906
2-[2-(methylamino)ethyl]-N-(3-methylsulfonylpropyl)benzamide
CID 104547629
N-methyl-N,2-bis[2-(methylamino)ethyl]benzamide
CID 104547950
2-(ethylamino)-N-methyl-N-(2-phenylethyl)benzamide
CID 63108183

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-methyl-N-(3-methylsulfonylpropyl)benzamide?
The IUPAC name of 2-ethyl-N-methyl-N-(3-methylsulfonylpropyl)benzamide (CID 84591945) is 2-ethyl-N-methyl-N-(3-methylsulfonylpropyl)benzamide.
What is the SMILES notation for 2-ethyl-N-methyl-N-(3-methylsulfonylpropyl)benzamide?
The canonical SMILES for 2-ethyl-N-methyl-N-(3-methylsulfonylpropyl)benzamide is CCc1ccccc1C(=O)N(C)CCCS(C)(=O)=O.
What is the InChIKey of 2-ethyl-N-methyl-N-(3-methylsulfonylpropyl)benzamide?
The InChIKey is APPBLXNVNQXVBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3S/c1-4-12-8-5-6-9-13(12)14(16)15(2)10-7-11-19(3,17)18/h5-6,8-9H,4,7,10-11H2,1-3H3.
What are the key properties of 2-ethyl-N-methyl-N-(3-methylsulfonylpropyl)benzamide?
2-ethyl-N-methyl-N-(3-methylsulfonylpropyl)benzamide has a molecular weight of 283.39 g/mol, XLogP of 1.76, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-methyl-N-(3-methylsulfonylpropyl)benzamide is sourced from PubChem (CID 84591945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).