N-[2-(ethylaminomethyl)phenyl]-2-propan-2-ylsulfonylacetamide

C14H22N2O3S — CID 119438980

IUPACN-[2-(ethylaminomethyl)phenyl]-2-propan-2-ylsulfonylacetamide
SMILESCCNCc1ccccc1NC(=O)CS(=O)(=O)C(C)C
InChIInChI=1S/C14H22N2O3S/c1-4-15-9-12-7-5-6-8-13(12)16-14(17)10-20(18,19)11(2)3/h5-8,11,15H,4,9-10H2,1-3H3,(H,16,17)
InChIKeyQHWXWMUUJOVKJW-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.56
Rot. Bonds7

About N-[2-(ethylaminomethyl)phenyl]-2-propan-2-ylsulfonylacetamide

N-[2-(ethylaminomethyl)phenyl]-2-propan-2-ylsulfonylacetamide (PubChem CID 119438980) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is N-[2-(ethylaminomethyl)phenyl]-2-propan-2-ylsulfonylacetamide.

Molecular Properties

Compound NameN-[2-(ethylaminomethyl)phenyl]-2-propan-2-ylsulfonylacetamide
PubChem CID119438980
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC NameN-[2-(ethylaminomethyl)phenyl]-2-propan-2-ylsulfonylacetamide
SMILESCCNCc1ccccc1NC(=O)CS(=O)(=O)C(C)C
InChIInChI=1S/C14H22N2O3S/c1-4-15-9-12-7-5-6-8-13(12)16-14(17)10-20(18,19)11(2)3/h5-8,11,15H,4,9-10H2,1-3H3,(H,16,17)
InChIKeyQHWXWMUUJOVKJW-UHFFFAOYSA-N
XLogP1.56
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(ethylaminomethyl)phenyl]-2-methylsulfonylacetamide;hydrochloride
CID 119440105
N-[2-(ethylaminomethyl)phenyl]-4-methyl-3-phenylpentanamide
CID 119438867
N-(2-cyanophenyl)-2-propan-2-ylsulfonylacetamide
CID 63172628
N-[2-(ethylaminomethyl)phenyl]pentanamide;hydrochloride
CID 119438958
2-ethoxy-N-[2-(ethylaminomethyl)phenyl]acetamide
CID 43601366
N-[2-(ethylaminomethyl)phenyl]nonanamide
CID 65425982
N-[2-(ethylaminomethyl)phenyl]pent-4-ynamide
CID 114028604
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-enamide
CID 62678727
2-[2-(difluoromethoxy)phenyl]-N-[2-(ethylaminomethyl)phenyl]acetamide
CID 119439694
N-[2-(ethylaminomethyl)phenyl]-2-[4-(2-methylpropoxy)phenyl]acetamide
CID 119439493

Frequently Asked Questions

What is the IUPAC name of N-[2-(ethylaminomethyl)phenyl]-2-propan-2-ylsulfonylacetamide?
The IUPAC name of N-[2-(ethylaminomethyl)phenyl]-2-propan-2-ylsulfonylacetamide (CID 119438980) is N-[2-(ethylaminomethyl)phenyl]-2-propan-2-ylsulfonylacetamide.
What is the SMILES notation for N-[2-(ethylaminomethyl)phenyl]-2-propan-2-ylsulfonylacetamide?
The canonical SMILES for N-[2-(ethylaminomethyl)phenyl]-2-propan-2-ylsulfonylacetamide is CCNCc1ccccc1NC(=O)CS(=O)(=O)C(C)C.
What is the InChIKey of N-[2-(ethylaminomethyl)phenyl]-2-propan-2-ylsulfonylacetamide?
The InChIKey is QHWXWMUUJOVKJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-4-15-9-12-7-5-6-8-13(12)16-14(17)10-20(18,19)11(2)3/h5-8,11,15H,4,9-10H2,1-3H3,(H,16,17).
What are the key properties of N-[2-(ethylaminomethyl)phenyl]-2-propan-2-ylsulfonylacetamide?
N-[2-(ethylaminomethyl)phenyl]-2-propan-2-ylsulfonylacetamide has a molecular weight of 298.41 g/mol, XLogP of 1.56, 7 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-propan-2-ylsulfonylacetamide is sourced from PubChem (CID 119438980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).