N-[(2R)-2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]-2,5-dimethylbenzamide

C18H21NO2S — CID 97416787

IUPACN-[(2R)-2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]-2,5-dimethylbenzamide
SMILESCSc1ccc([C@@H](O)CNC(=O)c2cc(C)ccc2C)cc1
InChIInChI=1S/C18H21NO2S/c1-12-4-5-13(2)16(10-12)18(21)19-11-17(20)14-6-8-15(22-3)9-7-14/h4-10,17,20H,11H2,1-3H3,(H,19,21)/t17-/m0/s1
InChIKeyWEVONQBMHVFKPA-KRWDZBQOSA-N
MW315.44 g/mol
LogP3.49
Rot. Bonds5

About N-[(2R)-2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]-2,5-dimethylbenzamide

N-[(2R)-2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]-2,5-dimethylbenzamide (PubChem CID 97416787) has the molecular formula C18H21NO2S and a molecular weight of 315.44 g/mol. Its IUPAC name is N-[(2R)-2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]-2,5-dimethylbenzamide.

Molecular Properties

Compound NameN-[(2R)-2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]-2,5-dimethylbenzamide
PubChem CID97416787
Molecular FormulaC18H21NO2S
Molecular Weight315.44 g/mol
Exact Mass315.13
IUPAC NameN-[(2R)-2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]-2,5-dimethylbenzamide
SMILESCSc1ccc([C@@H](O)CNC(=O)c2cc(C)ccc2C)cc1
InChIInChI=1S/C18H21NO2S/c1-12-4-5-13(2)16(10-12)18(21)19-11-17(20)14-6-8-15(22-3)9-7-14/h4-10,17,20H,11H2,1-3H3,(H,19,21)/t17-/m0/s1
InChIKeyWEVONQBMHVFKPA-KRWDZBQOSA-N
XLogP3.49
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-hydroxy-2-phenylethyl)-2,5-dimethylbenzamide
CID 43391272
N'-(2,5-dimethylphenyl)-N-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]oxamide
CID 90582021
N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-2,5-dimethylbenzamide
CID 72717717
N-[(2S)-2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]-2-(3-methylphenyl)acetamide
CID 97416790
N-[2-(2-fluorophenyl)-2-hydroxyethyl]-2-methyl-5-methylsulfanylbenzamide
CID 111565791
N-[2-(4-fluorophenyl)propyl]-2,5-dimethylbenzamide
CID 110279740
4-chloro-N-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]benzamide
CID 90581781
methyl 4-[[(2S)-2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]carbamoyl]benzoate
CID 97416840
N-[(2S)-2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]-2,5-dimethylbenzamide
CID 95982457
4-bromo-N-[(2S)-2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]thiophene-2-carboxamide
CID 97416919
N-[(2S)-2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]thiophene-3-carboxamide
CID 97416773
N-[2-(dimethylamino)-2-phenylethyl]-2-methyl-5-methylsulfanylbenzamide
CID 134018244

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]-2,5-dimethylbenzamide?
The IUPAC name of N-[(2R)-2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]-2,5-dimethylbenzamide (CID 97416787) is N-[(2R)-2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]-2,5-dimethylbenzamide.
What is the SMILES notation for N-[(2R)-2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]-2,5-dimethylbenzamide?
The canonical SMILES for N-[(2R)-2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]-2,5-dimethylbenzamide is CSc1ccc([C@@H](O)CNC(=O)c2cc(C)ccc2C)cc1.
What is the InChIKey of N-[(2R)-2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]-2,5-dimethylbenzamide?
The InChIKey is WEVONQBMHVFKPA-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H21NO2S/c1-12-4-5-13(2)16(10-12)18(21)19-11-17(20)14-6-8-15(22-3)9-7-14/h4-10,17,20H,11H2,1-3H3,(H,19,21)/t17-/m0/s1.
What are the key properties of N-[(2R)-2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]-2,5-dimethylbenzamide?
N-[(2R)-2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]-2,5-dimethylbenzamide has a molecular weight of 315.44 g/mol, XLogP of 3.49, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]-2,5-dimethylbenzamide is sourced from PubChem (CID 97416787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).