2-amino-N-(2-methylsulfonylphenyl)propanamide

C10H14N2O3S — CID 43424873

IUPAC2-amino-N-(2-methylsulfonylphenyl)propanamide
SMILESCC(N)C(=O)Nc1ccccc1S(C)(=O)=O
InChIInChI=1S/C10H14N2O3S/c1-7(11)10(13)12-8-5-3-4-6-9(8)16(2,14)15/h3-7H,11H2,1-2H3,(H,12,13)
InChIKeyLHVCFSLDFHAYDG-UHFFFAOYSA-N
MW242.30 g/mol
LogP0.38
Rot. Bonds3

About 2-amino-N-(2-methylsulfonylphenyl)propanamide

2-amino-N-(2-methylsulfonylphenyl)propanamide (PubChem CID 43424873) has the molecular formula C10H14N2O3S and a molecular weight of 242.30 g/mol. Its IUPAC name is 2-amino-N-(2-methylsulfonylphenyl)propanamide.

Molecular Properties

Compound Name2-amino-N-(2-methylsulfonylphenyl)propanamide
PubChem CID43424873
Molecular FormulaC10H14N2O3S
Molecular Weight242.30 g/mol
Exact Mass242.07
IUPAC Name2-amino-N-(2-methylsulfonylphenyl)propanamide
SMILESCC(N)C(=O)Nc1ccccc1S(C)(=O)=O
InChIInChI=1S/C10H14N2O3S/c1-7(11)10(13)12-8-5-3-4-6-9(8)16(2,14)15/h3-7H,11H2,1-2H3,(H,12,13)
InChIKeyLHVCFSLDFHAYDG-UHFFFAOYSA-N
XLogP0.38
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(aminomethyl)-3-methyl-N-(2-methylsulfonylphenyl)butanamide
CID 65225020
(2R)-2-amino-N-[2-(methanesulfonamido)phenyl]propanamide;hydrochloride
CID 119278967
2-amino-N-(2-methylsulfonylphenyl)hexanamide
CID 54928189
(2S)-2-amino-N-(2-iodophenyl)propanamide
CID 28882935
1-(1-hydroxypropan-2-yl)-3-(2-methylsulfonylphenyl)urea
CID 51080334
2-amino-2-methyl-N-(2-methylsulfonylphenyl)propanamide
CID 61265607
2-amino-N-(2-chlorophenyl)propanamide
CID 24704539
methyl N-(2-methylsulfonylphenyl)carbamate
CID 117062831
(2R)-2-amino-N-(2-aminophenyl)propanamide;hydrochloride
CID 131153716
(2S)-2-amino-N-(2-bromophenyl)propanamide
CID 22690580
2-amino-N-(2-methylphenyl)propanamide;hydrochloride
CID 56832187
2-amino-N-(2-fluorophenyl)propanamide
CID 24707617

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-methylsulfonylphenyl)propanamide?
The IUPAC name of 2-amino-N-(2-methylsulfonylphenyl)propanamide (CID 43424873) is 2-amino-N-(2-methylsulfonylphenyl)propanamide.
What is the SMILES notation for 2-amino-N-(2-methylsulfonylphenyl)propanamide?
The canonical SMILES for 2-amino-N-(2-methylsulfonylphenyl)propanamide is CC(N)C(=O)Nc1ccccc1S(C)(=O)=O.
What is the InChIKey of 2-amino-N-(2-methylsulfonylphenyl)propanamide?
The InChIKey is LHVCFSLDFHAYDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3S/c1-7(11)10(13)12-8-5-3-4-6-9(8)16(2,14)15/h3-7H,11H2,1-2H3,(H,12,13).
What are the key properties of 2-amino-N-(2-methylsulfonylphenyl)propanamide?
2-amino-N-(2-methylsulfonylphenyl)propanamide has a molecular weight of 242.30 g/mol, XLogP of 0.38, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-methylsulfonylphenyl)propanamide is sourced from PubChem (CID 43424873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).