2-methylsulfonyl-N-[2-(propylamino)phenyl]propanamide

C13H20N2O3S — CID 102562893

IUPAC2-methylsulfonyl-N-[2-(propylamino)phenyl]propanamide
SMILESCCCNc1ccccc1NC(=O)C(C)S(C)(=O)=O
InChIInChI=1S/C13H20N2O3S/c1-4-9-14-11-7-5-6-8-12(11)15-13(16)10(2)19(3,17)18/h5-8,10,14H,4,9H2,1-3H3,(H,15,16)
InChIKeyGRGNTOGKSREVME-UHFFFAOYSA-N
MW284.38 g/mol
LogP1.88
Rot. Bonds6

About 2-methylsulfonyl-N-[2-(propylamino)phenyl]propanamide

2-methylsulfonyl-N-[2-(propylamino)phenyl]propanamide (PubChem CID 102562893) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is 2-methylsulfonyl-N-[2-(propylamino)phenyl]propanamide.

Molecular Properties

Compound Name2-methylsulfonyl-N-[2-(propylamino)phenyl]propanamide
PubChem CID102562893
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC Name2-methylsulfonyl-N-[2-(propylamino)phenyl]propanamide
SMILESCCCNc1ccccc1NC(=O)C(C)S(C)(=O)=O
InChIInChI=1S/C13H20N2O3S/c1-4-9-14-11-7-5-6-8-12(11)15-13(16)10(2)19(3,17)18/h5-8,10,14H,4,9H2,1-3H3,(H,15,16)
InChIKeyGRGNTOGKSREVME-UHFFFAOYSA-N
XLogP1.88
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methylsulfonyl-N-[2-[1-(propylamino)ethyl]phenyl]propanamide
CID 104517879
2-methyl-3-oxo-3-[2-(propylamino)anilino]propanoic acid
CID 122065819
N-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-2-methylsulfonylpropanamide
CID 104519551
(2S)-N-[2-(propylamino)phenyl]-2-thiomorpholin-4-ylpropanamide
CID 99830009
(2R)-2-(oxan-4-yl)-N-[2-(propylamino)phenyl]propanamide
CID 99795233
2-methylsulfonyl-N-[4-(propylaminomethyl)phenyl]propanamide
CID 106910339
N-[2-(methanesulfonamido)phenyl]-2-methylpropanamide
CID 47169208
(2S)-N-(2,5-dimethylphenyl)-2-methylsulfonylpropanamide
CID 94024925
2-methyl-6-(2-methylsulfonylpropanoylamino)benzoic acid
CID 104517637
(2R)-2-(4-hydroxy-2-methyl-6-oxo-1-pyridinyl)-N-[2-(propylamino)phenyl]propanamide
CID 99795225
N-[2-(propylamino)phenyl]hydroxylamine
CID 175227965
N-(2-methylpropyl)-N-propan-2-yl-2-(propylamino)benzamide
CID 62176891

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfonyl-N-[2-(propylamino)phenyl]propanamide?
The IUPAC name of 2-methylsulfonyl-N-[2-(propylamino)phenyl]propanamide (CID 102562893) is 2-methylsulfonyl-N-[2-(propylamino)phenyl]propanamide.
What is the SMILES notation for 2-methylsulfonyl-N-[2-(propylamino)phenyl]propanamide?
The canonical SMILES for 2-methylsulfonyl-N-[2-(propylamino)phenyl]propanamide is CCCNc1ccccc1NC(=O)C(C)S(C)(=O)=O.
What is the InChIKey of 2-methylsulfonyl-N-[2-(propylamino)phenyl]propanamide?
The InChIKey is GRGNTOGKSREVME-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-4-9-14-11-7-5-6-8-12(11)15-13(16)10(2)19(3,17)18/h5-8,10,14H,4,9H2,1-3H3,(H,15,16).
What are the key properties of 2-methylsulfonyl-N-[2-(propylamino)phenyl]propanamide?
2-methylsulfonyl-N-[2-(propylamino)phenyl]propanamide has a molecular weight of 284.38 g/mol, XLogP of 1.88, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfonyl-N-[2-(propylamino)phenyl]propanamide is sourced from PubChem (CID 102562893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).