2-hydroxy-N-[2-(methanesulfonamido)-2-methylpropyl]-5-methoxybenzamide

C13H20N2O5S — CID 63858949

IUPAC2-hydroxy-N-[2-(methanesulfonamido)-2-methylpropyl]-5-methoxybenzamide
SMILESCOc1ccc(O)c(C(=O)NCC(C)(C)NS(C)(=O)=O)c1
InChIInChI=1S/C13H20N2O5S/c1-13(2,15-21(4,18)19)8-14-12(17)10-7-9(20-3)5-6-11(10)16/h5-7,15-16H,8H2,1-4H3,(H,14,17)
InChIKeyFIDNJOJOMJXVEK-UHFFFAOYSA-N
MW316.38 g/mol
LogP0.46
Rot. Bonds6

About 2-hydroxy-N-[2-(methanesulfonamido)-2-methylpropyl]-5-methoxybenzamide

2-hydroxy-N-[2-(methanesulfonamido)-2-methylpropyl]-5-methoxybenzamide (PubChem CID 63858949) has the molecular formula C13H20N2O5S and a molecular weight of 316.38 g/mol. Its IUPAC name is 2-hydroxy-N-[2-(methanesulfonamido)-2-methylpropyl]-5-methoxybenzamide.

Molecular Properties

Compound Name2-hydroxy-N-[2-(methanesulfonamido)-2-methylpropyl]-5-methoxybenzamide
PubChem CID63858949
Molecular FormulaC13H20N2O5S
Molecular Weight316.38 g/mol
Exact Mass316.11
IUPAC Name2-hydroxy-N-[2-(methanesulfonamido)-2-methylpropyl]-5-methoxybenzamide
SMILESCOc1ccc(O)c(C(=O)NCC(C)(C)NS(C)(=O)=O)c1
InChIInChI=1S/C13H20N2O5S/c1-13(2,15-21(4,18)19)8-14-12(17)10-7-9(20-3)5-6-11(10)16/h5-7,15-16H,8H2,1-4H3,(H,14,17)
InChIKeyFIDNJOJOMJXVEK-UHFFFAOYSA-N
XLogP0.46
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 50.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-[2-(methanesulfonamido)-2-methylpropyl]-5-methoxybenzamide
CID 63863359
2-fluoro-4-hydroxy-N-[2-(methanesulfonamido)-2-methylpropyl]benzamide
CID 103941340
N-[1-[1-(2-hydroxy-4-methoxyphenyl)ethylamino]-2-methylpropan-2-yl]methanesulfonamide
CID 63860315
2-hydroxy-5-methoxy-N-[2-[methyl(propan-2-yl)amino]ethyl]benzamide
CID 62641545
2-hydroxy-N-(3-iodopropyl)-5-methoxybenzamide
CID 114504277
N-(3-ethylpentan-3-yl)-2-hydroxy-5-methoxybenzamide
CID 65041292
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-hydroxy-5-methoxybenzamide
CID 107845895
(2S)-2-hydroxy-3-[(2-hydroxy-5-methoxybenzoyl)amino]propanoic acid
CID 107833807
2-hydroxy-5-methoxy-N-[(4-methylphenyl)methyl]benzamide
CID 11086863
N-[2-(cyclopropylamino)-2-oxoethyl]-2-hydroxy-5-methoxybenzamide
CID 54943363
2-hydroxy-5-methoxy-N-[2-(2-methoxyethylamino)-2-oxoethyl]benzamide
CID 115577294
N-(2-cyanopropyl)-2-hydroxy-5-methoxybenzamide
CID 55102191

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-[2-(methanesulfonamido)-2-methylpropyl]-5-methoxybenzamide?
The IUPAC name of 2-hydroxy-N-[2-(methanesulfonamido)-2-methylpropyl]-5-methoxybenzamide (CID 63858949) is 2-hydroxy-N-[2-(methanesulfonamido)-2-methylpropyl]-5-methoxybenzamide.
What is the SMILES notation for 2-hydroxy-N-[2-(methanesulfonamido)-2-methylpropyl]-5-methoxybenzamide?
The canonical SMILES for 2-hydroxy-N-[2-(methanesulfonamido)-2-methylpropyl]-5-methoxybenzamide is COc1ccc(O)c(C(=O)NCC(C)(C)NS(C)(=O)=O)c1.
What is the InChIKey of 2-hydroxy-N-[2-(methanesulfonamido)-2-methylpropyl]-5-methoxybenzamide?
The InChIKey is FIDNJOJOMJXVEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O5S/c1-13(2,15-21(4,18)19)8-14-12(17)10-7-9(20-3)5-6-11(10)16/h5-7,15-16H,8H2,1-4H3,(H,14,17).
What are the key properties of 2-hydroxy-N-[2-(methanesulfonamido)-2-methylpropyl]-5-methoxybenzamide?
2-hydroxy-N-[2-(methanesulfonamido)-2-methylpropyl]-5-methoxybenzamide has a molecular weight of 316.38 g/mol, XLogP of 0.46, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-[2-(methanesulfonamido)-2-methylpropyl]-5-methoxybenzamide is sourced from PubChem (CID 63858949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).