N-methyl-3-[methyl-[(4-methylsulfonylphenyl)methyl]amino]butanamide

C14H22N2O3S — CID 50985142

IUPACN-methyl-3-[methyl-[(4-methylsulfonylphenyl)methyl]amino]butanamide
SMILESCNC(=O)CC(C)N(C)Cc1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C14H22N2O3S/c1-11(9-14(17)15-2)16(3)10-12-5-7-13(8-6-12)20(4,18)19/h5-8,11H,9-10H2,1-4H3,(H,15,17)
InChIKeyGYMXUQBQMDWNFA-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.05
Rot. Bonds6

About N-methyl-3-[methyl-[(4-methylsulfonylphenyl)methyl]amino]butanamide

N-methyl-3-[methyl-[(4-methylsulfonylphenyl)methyl]amino]butanamide (PubChem CID 50985142) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is N-methyl-3-[methyl-[(4-methylsulfonylphenyl)methyl]amino]butanamide.

Molecular Properties

Compound NameN-methyl-3-[methyl-[(4-methylsulfonylphenyl)methyl]amino]butanamide
PubChem CID50985142
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC NameN-methyl-3-[methyl-[(4-methylsulfonylphenyl)methyl]amino]butanamide
SMILESCNC(=O)CC(C)N(C)Cc1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C14H22N2O3S/c1-11(9-14(17)15-2)16(3)10-12-5-7-13(8-6-12)20(4,18)19/h5-8,11H,9-10H2,1-4H3,(H,15,17)
InChIKeyGYMXUQBQMDWNFA-UHFFFAOYSA-N
XLogP1.05
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-N-methyl-3-[methyl(pyridin-4-ylmethyl)amino]butanamide
CID 95131612
N-methyl-3-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]butanamide
CID 50970573
(2S)-2-[methyl-[(4-methylsulfonylphenyl)methyl]amino]butanoic acid
CID 125118009
3-[(4-imidazol-1-ylphenyl)methyl-methylamino]-N-methylbutanamide
CID 56720189
3-[(4-fluorophenyl)methyl-methylamino]butanehydrazide
CID 55214641
N-methyl-3-[methyl-[(4-methyl-2-oxochromen-7-yl)methyl]amino]butanamide
CID 56709335
3-[benzyl(methyl)amino]butanehydrazide
CID 63568867
4-[[methyl-[(1R)-1-(4-methylsulfonylphenyl)ethyl]amino]methyl]benzamide
CID 37303014
N-methyl-N-[(4-methylsulfonylphenyl)methyl]-1-pyridin-2-ylpropan-2-amine
CID 50980184
N-butan-2-yl-2-(4-methylsulfonylphenyl)acetamide
CID 110771263
3-[methyl(pyridin-4-ylmethyl)amino]butanehydrazide
CID 63571998
N-[(4-bromophenyl)methyl]-N-methyl-1-(4-methylsulfonylphenyl)ethanamine
CID 46551617

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[methyl-[(4-methylsulfonylphenyl)methyl]amino]butanamide?
The IUPAC name of N-methyl-3-[methyl-[(4-methylsulfonylphenyl)methyl]amino]butanamide (CID 50985142) is N-methyl-3-[methyl-[(4-methylsulfonylphenyl)methyl]amino]butanamide.
What is the SMILES notation for N-methyl-3-[methyl-[(4-methylsulfonylphenyl)methyl]amino]butanamide?
The canonical SMILES for N-methyl-3-[methyl-[(4-methylsulfonylphenyl)methyl]amino]butanamide is CNC(=O)CC(C)N(C)Cc1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of N-methyl-3-[methyl-[(4-methylsulfonylphenyl)methyl]amino]butanamide?
The InChIKey is GYMXUQBQMDWNFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-11(9-14(17)15-2)16(3)10-12-5-7-13(8-6-12)20(4,18)19/h5-8,11H,9-10H2,1-4H3,(H,15,17).
What are the key properties of N-methyl-3-[methyl-[(4-methylsulfonylphenyl)methyl]amino]butanamide?
N-methyl-3-[methyl-[(4-methylsulfonylphenyl)methyl]amino]butanamide has a molecular weight of 298.41 g/mol, XLogP of 1.05, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[methyl-[(4-methylsulfonylphenyl)methyl]amino]butanamide is sourced from PubChem (CID 50985142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).