2-hydroxy-N-[(4-methylphenyl)sulfonylmethyl]-2-phenylacetamide

C16H17NO4S — CID 73021064

IUPAC2-hydroxy-N-[(4-methylphenyl)sulfonylmethyl]-2-phenylacetamide
SMILESCc1ccc(S(=O)(=O)CNC(=O)C(O)c2ccccc2)cc1
InChIInChI=1S/C16H17NO4S/c1-12-7-9-14(10-8-12)22(20,21)11-17-16(19)15(18)13-5-3-2-4-6-13/h2-10,15,18H,11H2,1H3,(H,17,19)
InChIKeyBZHXWTRIGAJJDI-UHFFFAOYSA-N
MW319.38 g/mol
LogP1.58
Rot. Bonds5

About 2-hydroxy-N-[(4-methylphenyl)sulfonylmethyl]-2-phenylacetamide

2-hydroxy-N-[(4-methylphenyl)sulfonylmethyl]-2-phenylacetamide (PubChem CID 73021064) has the molecular formula C16H17NO4S and a molecular weight of 319.38 g/mol. Its IUPAC name is 2-hydroxy-N-[(4-methylphenyl)sulfonylmethyl]-2-phenylacetamide.

Molecular Properties

Compound Name2-hydroxy-N-[(4-methylphenyl)sulfonylmethyl]-2-phenylacetamide
PubChem CID73021064
Molecular FormulaC16H17NO4S
Molecular Weight319.38 g/mol
Exact Mass319.09
IUPAC Name2-hydroxy-N-[(4-methylphenyl)sulfonylmethyl]-2-phenylacetamide
SMILESCc1ccc(S(=O)(=O)CNC(=O)C(O)c2ccccc2)cc1
InChIInChI=1S/C16H17NO4S/c1-12-7-9-14(10-8-12)22(20,21)11-17-16(19)15(18)13-5-3-2-4-6-13/h2-10,15,18H,11H2,1H3,(H,17,19)
InChIKeyBZHXWTRIGAJJDI-UHFFFAOYSA-N
XLogP1.58
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.38
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-ethylsulfonyl-N-[2-hydroxy-2-(4-methylphenyl)ethyl]benzamide
CID 51098754
N-(2-hydroxy-2-(4-(trifluoromethyl)phenyl)ethyl)-2-(4-(isopropylsulfonyl)phenyl)acetamide
CID 56765470
N-(2-hydroxy-2-(3-methylthiophen-2-yl)ethyl)-2-(4-(isopropylsulfonyl)phenyl)acetamide
CID 71781696
(2R,3S)-3-benzyl-2-fluoro-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-4-(4-methylphenyl)sulfinylbutanamide
CID 134917517
3-(4-fluorophenyl)-2-hydroxy-N-[(4-methylphenyl)sulfonylmethyl]propanamide
CID 135029447
(S)-2-(Methylamino)-2-oxo-1-phenylethyl 4-methylbenzenesulfonate
CID 57354974
N-[(1r,2r)-2-hydroxy-1-hydroxymethyl-2-(4-methylsulphonylphenyl)ethyl]acetamide
CID 129853440
2-(4-fluorophenyl)-N-(2-hydroxy-2-(4-(methylthio)phenyl)ethyl)acetamide
CID 71803787
N-[(1R,2S)-3-fluoro-1-hydroxy-1-(4-methylsulfonylphenyl)propan-2-yl]-2-methylpropanamide
CID 11695397
N-[3-fluoro-1-hydroxy-1-(4-methylsulfonylphenyl)propan-2-yl]-2-hydroxyacetamide
CID 19422965
Dideschloro Florfenicol
CID 29978205
N-[(1R,2S)-3-fluoro-1-hydroxy-1-(4-methylsulfonylphenyl)propan-2-yl]-2-hydroxyacetamide
CID 67736256

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-[(4-methylphenyl)sulfonylmethyl]-2-phenylacetamide?
The IUPAC name of 2-hydroxy-N-[(4-methylphenyl)sulfonylmethyl]-2-phenylacetamide (CID 73021064) is 2-hydroxy-N-[(4-methylphenyl)sulfonylmethyl]-2-phenylacetamide.
What is the SMILES notation for 2-hydroxy-N-[(4-methylphenyl)sulfonylmethyl]-2-phenylacetamide?
The canonical SMILES for 2-hydroxy-N-[(4-methylphenyl)sulfonylmethyl]-2-phenylacetamide is Cc1ccc(S(=O)(=O)CNC(=O)C(O)c2ccccc2)cc1.
What is the InChIKey of 2-hydroxy-N-[(4-methylphenyl)sulfonylmethyl]-2-phenylacetamide?
The InChIKey is BZHXWTRIGAJJDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO4S/c1-12-7-9-14(10-8-12)22(20,21)11-17-16(19)15(18)13-5-3-2-4-6-13/h2-10,15,18H,11H2,1H3,(H,17,19).
What are the key properties of 2-hydroxy-N-[(4-methylphenyl)sulfonylmethyl]-2-phenylacetamide?
2-hydroxy-N-[(4-methylphenyl)sulfonylmethyl]-2-phenylacetamide has a molecular weight of 319.38 g/mol, XLogP of 1.58, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-[(4-methylphenyl)sulfonylmethyl]-2-phenylacetamide is sourced from PubChem (CID 73021064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).