N-[2-(ethylaminomethyl)phenyl]-2-methylsulfonylacetamide;hydrochloride

C12H19ClN2O3S — CID 119440105

IUPACN-[2-(ethylaminomethyl)phenyl]-2-methylsulfonylacetamide;hydrochloride
SMILESCCNCc1ccccc1NC(=O)CS(C)(=O)=O.Cl
InChIInChI=1S/C12H18N2O3S.ClH/c1-3-13-8-10-6-4-5-7-11(10)14-12(15)9-18(2,16)17;/h4-7,13H,3,8-9H2,1-2H3,(H,14,15);1H
InChIKeyKJWLUNWIWDWHEP-UHFFFAOYSA-N
MW306.81 g/mol
LogP1.20
Rot. Bonds6

About N-[2-(ethylaminomethyl)phenyl]-2-methylsulfonylacetamide;hydrochloride

N-[2-(ethylaminomethyl)phenyl]-2-methylsulfonylacetamide;hydrochloride (PubChem CID 119440105) has the molecular formula C12H19ClN2O3S and a molecular weight of 306.81 g/mol. Its IUPAC name is N-[2-(ethylaminomethyl)phenyl]-2-methylsulfonylacetamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(ethylaminomethyl)phenyl]-2-methylsulfonylacetamide;hydrochloride
PubChem CID119440105
Molecular FormulaC12H19ClN2O3S
Molecular Weight306.81 g/mol
Exact Mass306.08
IUPAC NameN-[2-(ethylaminomethyl)phenyl]-2-methylsulfonylacetamide;hydrochloride
SMILESCCNCc1ccccc1NC(=O)CS(C)(=O)=O.Cl
InChIInChI=1S/C12H18N2O3S.ClH/c1-3-13-8-10-6-4-5-7-11(10)14-12(15)9-18(2,16)17;/h4-7,13H,3,8-9H2,1-2H3,(H,14,15);1H
InChIKeyKJWLUNWIWDWHEP-UHFFFAOYSA-N
XLogP1.20
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.81
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(ethylaminomethyl)phenyl]-2-propan-2-ylsulfonylacetamide
CID 119438980
N-[2-(ethylaminomethyl)phenyl]pentanamide;hydrochloride
CID 119438958
2-ethoxy-N-[2-(ethylaminomethyl)phenyl]acetamide
CID 43601366
2-(2,3-difluorophenyl)-N-[2-(ethylaminomethyl)phenyl]acetamide;hydrochloride
CID 84586354
N-[2-(ethylaminomethyl)phenyl]nonanamide
CID 65425982
N-(2-iodophenyl)-2-methylsulfonylacetamide
CID 47207428
N-[2-(ethylaminomethyl)phenyl]-4-oxo-4-phenylbutanamide
CID 119440695
2-cyclopentyl-N-[2-(ethylaminomethyl)phenyl]acetamide
CID 60776430
N-[2-(ethylaminomethyl)phenyl]pent-4-ynamide
CID 114028604
N-[2-(ethylaminomethyl)phenyl]pent-4-enamide
CID 62678727
2-(4-ethoxyphenoxy)-N-[2-(ethylaminomethyl)phenyl]acetamide;hydrochloride
CID 119439853
N-[2-(ethylaminomethyl)phenyl]-2-(5-methylthiophen-2-yl)acetamide;hydrochloride
CID 119439132

Frequently Asked Questions

What is the IUPAC name of N-[2-(ethylaminomethyl)phenyl]-2-methylsulfonylacetamide;hydrochloride?
The IUPAC name of N-[2-(ethylaminomethyl)phenyl]-2-methylsulfonylacetamide;hydrochloride (CID 119440105) is N-[2-(ethylaminomethyl)phenyl]-2-methylsulfonylacetamide;hydrochloride.
What is the SMILES notation for N-[2-(ethylaminomethyl)phenyl]-2-methylsulfonylacetamide;hydrochloride?
The canonical SMILES for N-[2-(ethylaminomethyl)phenyl]-2-methylsulfonylacetamide;hydrochloride is CCNCc1ccccc1NC(=O)CS(C)(=O)=O.Cl.
What is the InChIKey of N-[2-(ethylaminomethyl)phenyl]-2-methylsulfonylacetamide;hydrochloride?
The InChIKey is KJWLUNWIWDWHEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S.ClH/c1-3-13-8-10-6-4-5-7-11(10)14-12(15)9-18(2,16)17;/h4-7,13H,3,8-9H2,1-2H3,(H,14,15);1H.
What are the key properties of N-[2-(ethylaminomethyl)phenyl]-2-methylsulfonylacetamide;hydrochloride?
N-[2-(ethylaminomethyl)phenyl]-2-methylsulfonylacetamide;hydrochloride has a molecular weight of 306.81 g/mol, XLogP of 1.20, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(ethylaminomethyl)phenyl]-2-methylsulfonylacetamide;hydrochloride is sourced from PubChem (CID 119440105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).