2-methyl-N-[3-[methyl(methylsulfonyl)amino]phenyl]propanamide

C12H18N2O3S — CID 56920914

IUPAC2-methyl-N-[3-[methyl(methylsulfonyl)amino]phenyl]propanamide
SMILESCC(C)C(=O)Nc1cccc(N(C)S(C)(=O)=O)c1
InChIInChI=1S/C12H18N2O3S/c1-9(2)12(15)13-10-6-5-7-11(8-10)14(3)18(4,16)17/h5-9H,1-4H3,(H,13,15)
InChIKeyPVRIXCJJLGGIRX-UHFFFAOYSA-N
MW270.35 g/mol
LogP1.68
Rot. Bonds4

About 2-methyl-N-[3-[methyl(methylsulfonyl)amino]phenyl]propanamide

2-methyl-N-[3-[methyl(methylsulfonyl)amino]phenyl]propanamide (PubChem CID 56920914) has the molecular formula C12H18N2O3S and a molecular weight of 270.35 g/mol. Its IUPAC name is 2-methyl-N-[3-[methyl(methylsulfonyl)amino]phenyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[3-[methyl(methylsulfonyl)amino]phenyl]propanamide
PubChem CID56920914
Molecular FormulaC12H18N2O3S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC Name2-methyl-N-[3-[methyl(methylsulfonyl)amino]phenyl]propanamide
SMILESCC(C)C(=O)Nc1cccc(N(C)S(C)(=O)=O)c1
InChIInChI=1S/C12H18N2O3S/c1-9(2)12(15)13-10-6-5-7-11(8-10)14(3)18(4,16)17/h5-9H,1-4H3,(H,13,15)
InChIKeyPVRIXCJJLGGIRX-UHFFFAOYSA-N
XLogP1.68
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[methyl(methylsulfonyl)amino]phenyl]-2-phenylsulfanylpropanamide
CID 2942864
1-(3-chlorophenyl)-3-[3-[methyl(methylsulfonyl)amino]phenyl]urea
CID 2224615
(2S)-2-[methyl(methylsulfonyl)amino]-N-[3-[methyl(methylsulfonyl)amino]phenyl]-2-phenylacetamide
CID 125054821
(2S)-N-[3-[methyl(methylsulfonyl)amino]phenyl]-2-(4-methylphenoxy)propanamide
CID 9179674
(2S)-2-benzylsulfanyl-N-[3-[methyl(methylsulfonyl)amino]phenyl]propanamide
CID 126135835
2-(2-fluoro-N-methylsulfonylanilino)-N-[3-[methyl(methylsulfonyl)amino]phenyl]propanamide
CID 132672856
(2R)-2-(2,3-dimethylphenoxy)-N-[3-[methyl(methylsulfonyl)amino]phenyl]propanamide
CID 30397106
4-[methyl(methylsulfonyl)amino]-N-[3-[methyl(methylsulfonyl)amino]phenyl]benzamide
CID 1006597
N-[3-[ethyl(methyl)amino]phenyl]-2-methylsulfonylpropanamide
CID 71934917
N-[3-[methyl(methylsulfonyl)amino]phenyl]cyclopentanecarboxamide
CID 56921673
N-[3-[methyl(methylsulfonyl)amino]phenyl]-2-methylsulfanylbenzamide
CID 1252494
2-(4-ethylphenoxy)-N-[3-[methyl(methylsulfonyl)amino]phenyl]butanamide
CID 132659215

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[3-[methyl(methylsulfonyl)amino]phenyl]propanamide?
The IUPAC name of 2-methyl-N-[3-[methyl(methylsulfonyl)amino]phenyl]propanamide (CID 56920914) is 2-methyl-N-[3-[methyl(methylsulfonyl)amino]phenyl]propanamide.
What is the SMILES notation for 2-methyl-N-[3-[methyl(methylsulfonyl)amino]phenyl]propanamide?
The canonical SMILES for 2-methyl-N-[3-[methyl(methylsulfonyl)amino]phenyl]propanamide is CC(C)C(=O)Nc1cccc(N(C)S(C)(=O)=O)c1.
What is the InChIKey of 2-methyl-N-[3-[methyl(methylsulfonyl)amino]phenyl]propanamide?
The InChIKey is PVRIXCJJLGGIRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S/c1-9(2)12(15)13-10-6-5-7-11(8-10)14(3)18(4,16)17/h5-9H,1-4H3,(H,13,15).
What are the key properties of 2-methyl-N-[3-[methyl(methylsulfonyl)amino]phenyl]propanamide?
2-methyl-N-[3-[methyl(methylsulfonyl)amino]phenyl]propanamide has a molecular weight of 270.35 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[3-[methyl(methylsulfonyl)amino]phenyl]propanamide is sourced from PubChem (CID 56920914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).