4-[(1-ethylsulfonylpropan-2-ylamino)methyl]-N-methylbenzamide

C14H22N2O3S — CID 115626105

IUPAC4-[(1-ethylsulfonylpropan-2-ylamino)methyl]-N-methylbenzamide
SMILESCCS(=O)(=O)CC(C)NCc1ccc(C(=O)NC)cc1
InChIInChI=1S/C14H22N2O3S/c1-4-20(18,19)10-11(2)16-9-12-5-7-13(8-6-12)14(17)15-3/h5-8,11,16H,4,9-10H2,1-3H3,(H,15,17)
InChIKeyPTIAEDRVVRAYFJ-UHFFFAOYSA-N
MW298.41 g/mol
LogP0.96
Rot. Bonds7

About 4-[(1-ethylsulfonylpropan-2-ylamino)methyl]-N-methylbenzamide

4-[(1-ethylsulfonylpropan-2-ylamino)methyl]-N-methylbenzamide (PubChem CID 115626105) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is 4-[(1-ethylsulfonylpropan-2-ylamino)methyl]-N-methylbenzamide.

Molecular Properties

Compound Name4-[(1-ethylsulfonylpropan-2-ylamino)methyl]-N-methylbenzamide
PubChem CID115626105
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC Name4-[(1-ethylsulfonylpropan-2-ylamino)methyl]-N-methylbenzamide
SMILESCCS(=O)(=O)CC(C)NCc1ccc(C(=O)NC)cc1
InChIInChI=1S/C14H22N2O3S/c1-4-20(18,19)10-11(2)16-9-12-5-7-13(8-6-12)14(17)15-3/h5-8,11,16H,4,9-10H2,1-3H3,(H,15,17)
InChIKeyPTIAEDRVVRAYFJ-UHFFFAOYSA-N
XLogP0.96
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 ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-4-[(nonan-2-ylamino)methyl]benzamide
CID 43129912
1-ethylsulfonyl-N-[(4-fluorophenyl)methyl]propan-2-amine
CID 115626076
4-[[[1-(ethylamino)-1-oxopropan-2-yl]amino]methyl]-N-methylbenzamide
CID 60732797
N-methyl-4-[[(4-methyl-4-phenylpentan-2-yl)amino]methyl]benzamide
CID 119127093
N-methyl-4-[[1-(1-methylpiperidin-4-yl)ethylamino]methyl]benzamide
CID 43308095
N-methyl-4-[(propan-2-ylcarbamoylamino)methyl]benzamide
CID 47116390
ethane;N-methyl-4-[(2-methylhydrazinyl)methyl]benzamide
CID 153377467
ethane;N-methyl-4-[(propanoylamino)methyl]benzamide
CID 145404666
2-methyl-3-[[4-(methylcarbamoyl)phenyl]methylamino]-3-oxopropanoic acid
CID 114898130
4-[(heptylamino)methyl]-N-methylbenzamide
CID 43114052
4-[[[(1S)-1-(3-fluorophenyl)ethyl]amino]methyl]-N-methylbenzamide
CID 28620365
4-[[[(2R)-1-(ethylsulfonylamino)propan-2-yl]amino]methyl]benzoic acid
CID 125447770

Frequently Asked Questions

What is the IUPAC name of 4-[(1-ethylsulfonylpropan-2-ylamino)methyl]-N-methylbenzamide?
The IUPAC name of 4-[(1-ethylsulfonylpropan-2-ylamino)methyl]-N-methylbenzamide (CID 115626105) is 4-[(1-ethylsulfonylpropan-2-ylamino)methyl]-N-methylbenzamide.
What is the SMILES notation for 4-[(1-ethylsulfonylpropan-2-ylamino)methyl]-N-methylbenzamide?
The canonical SMILES for 4-[(1-ethylsulfonylpropan-2-ylamino)methyl]-N-methylbenzamide is CCS(=O)(=O)CC(C)NCc1ccc(C(=O)NC)cc1.
What is the InChIKey of 4-[(1-ethylsulfonylpropan-2-ylamino)methyl]-N-methylbenzamide?
The InChIKey is PTIAEDRVVRAYFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-4-20(18,19)10-11(2)16-9-12-5-7-13(8-6-12)14(17)15-3/h5-8,11,16H,4,9-10H2,1-3H3,(H,15,17).
What are the key properties of 4-[(1-ethylsulfonylpropan-2-ylamino)methyl]-N-methylbenzamide?
4-[(1-ethylsulfonylpropan-2-ylamino)methyl]-N-methylbenzamide has a molecular weight of 298.41 g/mol, XLogP of 0.96, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-ethylsulfonylpropan-2-ylamino)methyl]-N-methylbenzamide is sourced from PubChem (CID 115626105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).