N-[(2R,3S,4S)-3-hydroxy-2-(hydroxymethyl)oxan-4-yl]-4-[methyl(methylsulfonyl)amino]benzamide

C15H22N2O6S — CID 154571770

IUPACN-[(2R,3S,4S)-3-hydroxy-2-(hydroxymethyl)oxan-4-yl]-4-[methyl(methylsulfonyl)amino]benzamide
SMILESCN(c1ccc(C(=O)N[C@H]2CCO[C@H](CO)[C@H]2O)cc1)S(C)(=O)=O
InChIInChI=1S/C15H22N2O6S/c1-17(24(2,21)22)11-5-3-10(4-6-11)15(20)16-12-7-8-23-13(9-18)14(12)19/h3-6,12-14,18-19H,7-9H2,1-2H3,(H,16,20)/t12-,13+,14-/m0/s1
InChIKeyISJBEZIWHHXBTD-MJBXVCDLSA-N
MW358.42 g/mol
LogP-0.68
Rot. Bonds5

About N-[(2R,3S,4S)-3-hydroxy-2-(hydroxymethyl)oxan-4-yl]-4-[methyl(methylsulfonyl)amino]benzamide

N-[(2R,3S,4S)-3-hydroxy-2-(hydroxymethyl)oxan-4-yl]-4-[methyl(methylsulfonyl)amino]benzamide (PubChem CID 154571770) has the molecular formula C15H22N2O6S and a molecular weight of 358.42 g/mol. Its IUPAC name is N-[(2R,3S,4S)-3-hydroxy-2-(hydroxymethyl)oxan-4-yl]-4-[methyl(methylsulfonyl)amino]benzamide.

Molecular Properties

Compound NameN-[(2R,3S,4S)-3-hydroxy-2-(hydroxymethyl)oxan-4-yl]-4-[methyl(methylsulfonyl)amino]benzamide
PubChem CID154571770
Molecular FormulaC15H22N2O6S
Molecular Weight358.42 g/mol
Exact Mass358.12
IUPAC NameN-[(2R,3S,4S)-3-hydroxy-2-(hydroxymethyl)oxan-4-yl]-4-[methyl(methylsulfonyl)amino]benzamide
SMILESCN(c1ccc(C(=O)N[C@H]2CCO[C@H](CO)[C@H]2O)cc1)S(C)(=O)=O
InChIInChI=1S/C15H22N2O6S/c1-17(24(2,21)22)11-5-3-10(4-6-11)15(20)16-12-7-8-23-13(9-18)14(12)19/h3-6,12-14,18-19H,7-9H2,1-2H3,(H,16,20)/t12-,13+,14-/m0/s1
InChIKeyISJBEZIWHHXBTD-MJBXVCDLSA-N
XLogP-0.68
TPSA116.17 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 5-0.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2R,3S,4S)-3-hydroxy-2-(hydroxymethyl)oxan-4-yl]-1,3-benzodioxole-5-carboxamide
CID 154567269
N-[(2R,3S,4S)-3-hydroxy-2-(hydroxymethyl)oxan-4-yl]-4-piperidin-1-ylbenzamide
CID 154823860
N-[(2R,3S,4S)-3-hydroxy-2-(hydroxymethyl)oxan-4-yl]-5-methylthiophene-2-carboxamide
CID 154823440
N-[4-(hydrazinecarbonyl)phenyl]-N-methylmethanesulfonamide
CID 91671626
4-[(2-fluorophenyl)methoxy]-N-[(2R,3S,4S)-3-hydroxy-2-(hydroxymethyl)oxan-4-yl]benzamide
CID 146038093
N-methyl-4-[methyl(methylsulfonyl)amino]benzamide
CID 4662443
5-chloro-2-fluoro-N-[(2R,3S,4S)-3-hydroxy-2-(hydroxymethyl)oxan-4-yl]benzamide
CID 154563568
N-cyclopropyl-2-[4-[methyl(methylsulfonyl)amino]phenyl]acetamide
CID 100786982
4-[methyl(methylsulfonyl)amino]-N-propylbenzamide
CID 53279666
N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-4-[methyl(methylsulfonyl)amino]benzamide
CID 132658756
2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-[(2R,3S,4S)-3-hydroxy-2-(hydroxymethyl)oxan-4-yl]acetamide
CID 146046730
5-chloro-N-[(2R,3S,4S)-3-hydroxy-2-(hydroxymethyl)oxan-4-yl]-1H-indole-2-carboxamide
CID 154568197

Frequently Asked Questions

What is the IUPAC name of N-[(2R,3S,4S)-3-hydroxy-2-(hydroxymethyl)oxan-4-yl]-4-[methyl(methylsulfonyl)amino]benzamide?
The IUPAC name of N-[(2R,3S,4S)-3-hydroxy-2-(hydroxymethyl)oxan-4-yl]-4-[methyl(methylsulfonyl)amino]benzamide (CID 154571770) is N-[(2R,3S,4S)-3-hydroxy-2-(hydroxymethyl)oxan-4-yl]-4-[methyl(methylsulfonyl)amino]benzamide.
What is the SMILES notation for N-[(2R,3S,4S)-3-hydroxy-2-(hydroxymethyl)oxan-4-yl]-4-[methyl(methylsulfonyl)amino]benzamide?
The canonical SMILES for N-[(2R,3S,4S)-3-hydroxy-2-(hydroxymethyl)oxan-4-yl]-4-[methyl(methylsulfonyl)amino]benzamide is CN(c1ccc(C(=O)N[C@H]2CCO[C@H](CO)[C@H]2O)cc1)S(C)(=O)=O.
What is the InChIKey of N-[(2R,3S,4S)-3-hydroxy-2-(hydroxymethyl)oxan-4-yl]-4-[methyl(methylsulfonyl)amino]benzamide?
The InChIKey is ISJBEZIWHHXBTD-MJBXVCDLSA-N. The full InChI is InChI=1S/C15H22N2O6S/c1-17(24(2,21)22)11-5-3-10(4-6-11)15(20)16-12-7-8-23-13(9-18)14(12)19/h3-6,12-14,18-19H,7-9H2,1-2H3,(H,16,20)/t12-,13+,14-/m0/s1.
What are the key properties of N-[(2R,3S,4S)-3-hydroxy-2-(hydroxymethyl)oxan-4-yl]-4-[methyl(methylsulfonyl)amino]benzamide?
N-[(2R,3S,4S)-3-hydroxy-2-(hydroxymethyl)oxan-4-yl]-4-[methyl(methylsulfonyl)amino]benzamide has a molecular weight of 358.42 g/mol, XLogP of -0.68, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,3S,4S)-3-hydroxy-2-(hydroxymethyl)oxan-4-yl]-4-[methyl(methylsulfonyl)amino]benzamide is sourced from PubChem (CID 154571770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).