N-(2-hydroxyphenyl)-3-(2-methylpropylsulfonyl)propanamide

C13H19NO4S — CID 47038208

IUPACN-(2-hydroxyphenyl)-3-(2-methylpropylsulfonyl)propanamide
SMILESCC(C)CS(=O)(=O)CCC(=O)Nc1ccccc1O
InChIInChI=1S/C13H19NO4S/c1-10(2)9-19(17,18)8-7-13(16)14-11-5-3-4-6-12(11)15/h3-6,10,15H,7-9H2,1-2H3,(H,14,16)
InChIKeyFZAKLNIOVPEJKK-UHFFFAOYSA-N
MW285.36 g/mol
LogP1.79
Rot. Bonds6

About N-(2-hydroxyphenyl)-3-(2-methylpropylsulfonyl)propanamide

N-(2-hydroxyphenyl)-3-(2-methylpropylsulfonyl)propanamide (PubChem CID 47038208) has the molecular formula C13H19NO4S and a molecular weight of 285.36 g/mol. Its IUPAC name is N-(2-hydroxyphenyl)-3-(2-methylpropylsulfonyl)propanamide.

Molecular Properties

Compound NameN-(2-hydroxyphenyl)-3-(2-methylpropylsulfonyl)propanamide
PubChem CID47038208
Molecular FormulaC13H19NO4S
Molecular Weight285.36 g/mol
Exact Mass285.10
IUPAC NameN-(2-hydroxyphenyl)-3-(2-methylpropylsulfonyl)propanamide
SMILESCC(C)CS(=O)(=O)CCC(=O)Nc1ccccc1O
InChIInChI=1S/C13H19NO4S/c1-10(2)9-19(17,18)8-7-13(16)14-11-5-3-4-6-12(11)15/h3-6,10,15H,7-9H2,1-2H3,(H,14,16)
InChIKeyFZAKLNIOVPEJKK-UHFFFAOYSA-N
XLogP1.79
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.36
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

N-(2-aminoethyl)-2-[3-(2-methylpropylsulfonyl)propanoylamino]benzamide;hydrochloride
CID 120603370
N-[2-(aminomethyl)phenyl]-4-(2-methylpropylsulfonyl)butanamide
CID 64698214
N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-3-(2-methylpropylsulfonyl)propanamide
CID 87000636
ethane;N-(2-hydroxyphenyl)butanamide
CID 142538893
N-(2-amino-5-methoxyphenyl)-3-(2-methylpropylsulfonyl)propanamide;hydrochloride
CID 119420984
N-(2-hydroxyphenyl)-2-iodoacetamide
CID 66791865
N-(2-hydroxyphenyl)-2-(2-methylpropoxy)acetamide
CID 143482157
N-(2-hydroxyphenyl)-3-[(4-propan-2-ylphenyl)sulfonylamino]propanamide
CID 17450655
4-(2-hydroxyanilino)-4-oxobutanoate
CID 3615801
3-acetamido-N-(2-hydroxyphenyl)propanamide
CID 47110153
6-(benzenesulfonyl)-N-(2-hydroxyphenyl)hexanamide
CID 135365962
methyl 3-[3-(2-aminoanilino)-3-oxopropyl]sulfonylpropanoate
CID 43618100

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyphenyl)-3-(2-methylpropylsulfonyl)propanamide?
The IUPAC name of N-(2-hydroxyphenyl)-3-(2-methylpropylsulfonyl)propanamide (CID 47038208) is N-(2-hydroxyphenyl)-3-(2-methylpropylsulfonyl)propanamide.
What is the SMILES notation for N-(2-hydroxyphenyl)-3-(2-methylpropylsulfonyl)propanamide?
The canonical SMILES for N-(2-hydroxyphenyl)-3-(2-methylpropylsulfonyl)propanamide is CC(C)CS(=O)(=O)CCC(=O)Nc1ccccc1O.
What is the InChIKey of N-(2-hydroxyphenyl)-3-(2-methylpropylsulfonyl)propanamide?
The InChIKey is FZAKLNIOVPEJKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO4S/c1-10(2)9-19(17,18)8-7-13(16)14-11-5-3-4-6-12(11)15/h3-6,10,15H,7-9H2,1-2H3,(H,14,16).
What are the key properties of N-(2-hydroxyphenyl)-3-(2-methylpropylsulfonyl)propanamide?
N-(2-hydroxyphenyl)-3-(2-methylpropylsulfonyl)propanamide has a molecular weight of 285.36 g/mol, XLogP of 1.79, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyphenyl)-3-(2-methylpropylsulfonyl)propanamide is sourced from PubChem (CID 47038208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).