N-[(2R)-2-hydroxy-2-(2-methylphenyl)ethyl]-3-methylsulfonylbenzamide

C17H19NO4S — CID 96530833

IUPACN-[(2R)-2-hydroxy-2-(2-methylphenyl)ethyl]-3-methylsulfonylbenzamide
SMILESCc1ccccc1[C@@H](O)CNC(=O)c1cccc(S(C)(=O)=O)c1
InChIInChI=1S/C17H19NO4S/c1-12-6-3-4-9-15(12)16(19)11-18-17(20)13-7-5-8-14(10-13)23(2,21)22/h3-10,16,19H,11H2,1-2H3,(H,18,20)/t16-/m0/s1
InChIKeyJLVGHTIEOYXZBT-INIZCTEOSA-N
MW333.41 g/mol
LogP1.86
Rot. Bonds5

About N-[(2R)-2-hydroxy-2-(2-methylphenyl)ethyl]-3-methylsulfonylbenzamide

N-[(2R)-2-hydroxy-2-(2-methylphenyl)ethyl]-3-methylsulfonylbenzamide (PubChem CID 96530833) has the molecular formula C17H19NO4S and a molecular weight of 333.41 g/mol. Its IUPAC name is N-[(2R)-2-hydroxy-2-(2-methylphenyl)ethyl]-3-methylsulfonylbenzamide.

Molecular Properties

Compound NameN-[(2R)-2-hydroxy-2-(2-methylphenyl)ethyl]-3-methylsulfonylbenzamide
PubChem CID96530833
Molecular FormulaC17H19NO4S
Molecular Weight333.41 g/mol
Exact Mass333.10
IUPAC NameN-[(2R)-2-hydroxy-2-(2-methylphenyl)ethyl]-3-methylsulfonylbenzamide
SMILESCc1ccccc1[C@@H](O)CNC(=O)c1cccc(S(C)(=O)=O)c1
InChIInChI=1S/C17H19NO4S/c1-12-6-3-4-9-15(12)16(19)11-18-17(20)13-7-5-8-14(10-13)23(2,21)22/h3-10,16,19H,11H2,1-2H3,(H,18,20)/t16-/m0/s1
InChIKeyJLVGHTIEOYXZBT-INIZCTEOSA-N
XLogP1.86
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-hydroxy-2-(2-methylphenyl)ethyl]-3,5-dimethylbenzamide
CID 111119847
N-[2-(methylamino)propyl]-3-methylsulfonylbenzamide;hydrochloride
CID 120832243
N-(2-bromopropyl)-3-methylsulfonylbenzamide
CID 114308747
3-methylsulfonyl-N-(2-phenylpropyl)benzamide
CID 42894359
N-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-pyrazol-1-ylbenzamide
CID 111423679
3-methyl-4-[(3-methylsulfonylbenzoyl)amino]butanoic acid
CID 81063437
methyl 2-iodo-3-[(3-methylsulfonylbenzoyl)amino]propanoate
CID 103493340
N-[2-[[2-hydroxy-2-(2-methylphenyl)ethyl]amino]-2-oxoethyl]benzamide
CID 111120128
N-(2-amino-2-cyclopropylethyl)-3-methylsulfonylbenzamide
CID 55243718
N-(3,3-diphenylpropyl)-3-methylsulfonylbenzamide
CID 26881037
N-[(2R)-2-ethylhexyl]-3-methylsulfonylbenzamide
CID 36616680
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-3-methylsulfonylbenzamide;hydrochloride
CID 119526864

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-hydroxy-2-(2-methylphenyl)ethyl]-3-methylsulfonylbenzamide?
The IUPAC name of N-[(2R)-2-hydroxy-2-(2-methylphenyl)ethyl]-3-methylsulfonylbenzamide (CID 96530833) is N-[(2R)-2-hydroxy-2-(2-methylphenyl)ethyl]-3-methylsulfonylbenzamide.
What is the SMILES notation for N-[(2R)-2-hydroxy-2-(2-methylphenyl)ethyl]-3-methylsulfonylbenzamide?
The canonical SMILES for N-[(2R)-2-hydroxy-2-(2-methylphenyl)ethyl]-3-methylsulfonylbenzamide is Cc1ccccc1[C@@H](O)CNC(=O)c1cccc(S(C)(=O)=O)c1.
What is the InChIKey of N-[(2R)-2-hydroxy-2-(2-methylphenyl)ethyl]-3-methylsulfonylbenzamide?
The InChIKey is JLVGHTIEOYXZBT-INIZCTEOSA-N. The full InChI is InChI=1S/C17H19NO4S/c1-12-6-3-4-9-15(12)16(19)11-18-17(20)13-7-5-8-14(10-13)23(2,21)22/h3-10,16,19H,11H2,1-2H3,(H,18,20)/t16-/m0/s1.
What are the key properties of N-[(2R)-2-hydroxy-2-(2-methylphenyl)ethyl]-3-methylsulfonylbenzamide?
N-[(2R)-2-hydroxy-2-(2-methylphenyl)ethyl]-3-methylsulfonylbenzamide has a molecular weight of 333.41 g/mol, XLogP of 1.86, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-hydroxy-2-(2-methylphenyl)ethyl]-3-methylsulfonylbenzamide is sourced from PubChem (CID 96530833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).