N-[(2R)-2-methoxy-2-(2-methylphenyl)ethyl]-2-methylsulfanylbenzamide

C18H21NO2S — CID 97417682

IUPACN-[(2R)-2-methoxy-2-(2-methylphenyl)ethyl]-2-methylsulfanylbenzamide
SMILESCO[C@@H](CNC(=O)c1ccccc1SC)c1ccccc1C
InChIInChI=1S/C18H21NO2S/c1-13-8-4-5-9-14(13)16(21-2)12-19-18(20)15-10-6-7-11-17(15)22-3/h4-11,16H,12H2,1-3H3,(H,19,20)/t16-/m0/s1
InChIKeyARRULXDADNDRAX-INIZCTEOSA-N
MW315.44 g/mol
LogP3.83
Rot. Bonds6

About N-[(2R)-2-methoxy-2-(2-methylphenyl)ethyl]-2-methylsulfanylbenzamide

N-[(2R)-2-methoxy-2-(2-methylphenyl)ethyl]-2-methylsulfanylbenzamide (PubChem CID 97417682) has the molecular formula C18H21NO2S and a molecular weight of 315.44 g/mol. Its IUPAC name is N-[(2R)-2-methoxy-2-(2-methylphenyl)ethyl]-2-methylsulfanylbenzamide.

Molecular Properties

Compound NameN-[(2R)-2-methoxy-2-(2-methylphenyl)ethyl]-2-methylsulfanylbenzamide
PubChem CID97417682
Molecular FormulaC18H21NO2S
Molecular Weight315.44 g/mol
Exact Mass315.13
IUPAC NameN-[(2R)-2-methoxy-2-(2-methylphenyl)ethyl]-2-methylsulfanylbenzamide
SMILESCO[C@@H](CNC(=O)c1ccccc1SC)c1ccccc1C
InChIInChI=1S/C18H21NO2S/c1-13-8-4-5-9-14(13)16(21-2)12-19-18(20)15-10-6-7-11-17(15)22-3/h4-11,16H,12H2,1-3H3,(H,19,20)/t16-/m0/s1
InChIKeyARRULXDADNDRAX-INIZCTEOSA-N
XLogP3.83
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-methylphenoxy)ethyl]-2-methylsulfanylbenzamide
CID 2287344
N-[2-(4-methoxyphenyl)ethyl]-2-(methylthio)benzamide
CID 2976194
N-(3,4-dihydro-2H-thiochromen-4-yl)-4-(methoxymethyl)benzamide
CID 16341507
N-[2-(3-methylphenoxy)ethyl]-2-(methylthio)benzamide
CID 2295662
methyl 2-[(S)-[(2S)-morpholin-2-yl]-phenylmethyl]sulfanylbenzoate
CID 44457050
2-({2-[(Benzylamino)carbonyl]phenyl}thio)benzyl acetate
CID 2801931
(4-Benzamidothiolan-3-yl) benzoate
CID 2849001
[2-Oxo-2-(1-phenylethylamino)ethyl] 2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzoate
CID 24330885
2-methoxy-N-(2-methylbenzyl)-2-phenylacetamide
CID 2897270
Methyl 2-[2-[(2-amino-2-oxo-ethyl)carbamoyl]phenyl]sulfanylcarbonylbenzoate
CID 3013512
[2-(Benzylamino)-2-oxoethyl] 2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzoate
CID 7209183
5-acetyl-N-[3-(1-phenylethoxy)propyl]thiophene-2-carboxamide
CID 42942737

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-methoxy-2-(2-methylphenyl)ethyl]-2-methylsulfanylbenzamide?
The IUPAC name of N-[(2R)-2-methoxy-2-(2-methylphenyl)ethyl]-2-methylsulfanylbenzamide (CID 97417682) is N-[(2R)-2-methoxy-2-(2-methylphenyl)ethyl]-2-methylsulfanylbenzamide.
What is the SMILES notation for N-[(2R)-2-methoxy-2-(2-methylphenyl)ethyl]-2-methylsulfanylbenzamide?
The canonical SMILES for N-[(2R)-2-methoxy-2-(2-methylphenyl)ethyl]-2-methylsulfanylbenzamide is CO[C@@H](CNC(=O)c1ccccc1SC)c1ccccc1C.
What is the InChIKey of N-[(2R)-2-methoxy-2-(2-methylphenyl)ethyl]-2-methylsulfanylbenzamide?
The InChIKey is ARRULXDADNDRAX-INIZCTEOSA-N. The full InChI is InChI=1S/C18H21NO2S/c1-13-8-4-5-9-14(13)16(21-2)12-19-18(20)15-10-6-7-11-17(15)22-3/h4-11,16H,12H2,1-3H3,(H,19,20)/t16-/m0/s1.
What are the key properties of N-[(2R)-2-methoxy-2-(2-methylphenyl)ethyl]-2-methylsulfanylbenzamide?
N-[(2R)-2-methoxy-2-(2-methylphenyl)ethyl]-2-methylsulfanylbenzamide has a molecular weight of 315.44 g/mol, XLogP of 3.83, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-methoxy-2-(2-methylphenyl)ethyl]-2-methylsulfanylbenzamide is sourced from PubChem (CID 97417682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).