2-(4-methylphenyl)-N-[2-[(R)-(4-methylphenyl)sulfinyl]ethyl]acetamide

C18H21NO2S — CID 11861849

IUPAC2-(4-methylphenyl)-N-[2-[(R)-(4-methylphenyl)sulfinyl]ethyl]acetamide
SMILESCc1ccc(CC(=O)NCC[S@@](=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C18H21NO2S/c1-14-3-7-16(8-4-14)13-18(20)19-11-12-22(21)17-9-5-15(2)6-10-17/h3-10H,11-13H2,1-2H3,(H,19,20)/t22-/m1/s1
InChIKeyJAZMRNGJXPWZJO-JOCHJYFZSA-N
MW315.44 g/mol
LogP2.77
Rot. Bonds6

About 2-(4-methylphenyl)-N-[2-[(R)-(4-methylphenyl)sulfinyl]ethyl]acetamide

2-(4-methylphenyl)-N-[2-[(R)-(4-methylphenyl)sulfinyl]ethyl]acetamide (PubChem CID 11861849) has the molecular formula C18H21NO2S and a molecular weight of 315.44 g/mol. Its IUPAC name is 2-(4-methylphenyl)-N-[2-[(R)-(4-methylphenyl)sulfinyl]ethyl]acetamide.

Molecular Properties

Compound Name2-(4-methylphenyl)-N-[2-[(R)-(4-methylphenyl)sulfinyl]ethyl]acetamide
PubChem CID11861849
Molecular FormulaC18H21NO2S
Molecular Weight315.44 g/mol
Exact Mass315.13
IUPAC Name2-(4-methylphenyl)-N-[2-[(R)-(4-methylphenyl)sulfinyl]ethyl]acetamide
SMILESCc1ccc(CC(=O)NCC[S@@](=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C18H21NO2S/c1-14-3-7-16(8-4-14)13-18(20)19-11-12-22(21)17-9-5-15(2)6-10-17/h3-10H,11-13H2,1-2H3,(H,19,20)/t22-/m1/s1
InChIKeyJAZMRNGJXPWZJO-JOCHJYFZSA-N
XLogP2.77
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(cyclopropylamino)ethyl]-2-(4-methylphenyl)acetamide
CID 55100633
N-(4-aminobutyl)-2-(4-methylphenyl)acetamide
CID 60895939
3,4-dichloro-N-[2-[[2-(4-methylphenyl)acetyl]amino]ethyl]benzamide
CID 38993458
trimethyl-[2-(4-methylphenyl)sulfinylethyl]silane
CID 23729825
N-(5-chloropentyl)-2-(4-methylphenyl)acetamide
CID 107320841
N-[2-(4-methylphenoxy)ethyl]-2-(4-methylphenyl)acetamide
CID 40724453
N-[3-(dimethylamino)propyl]-2-(4-methylphenyl)acetamide
CID 4080384
2-(4-methylphenyl)-N-pent-3-ynylacetamide
CID 115977176
N-[[4-(aminomethyl)phenyl]methyl]-2-(4-methylphenyl)acetamide
CID 60917944
N-[(2R)-2-hydroxypropyl]-2-(4-methylphenyl)acetamide
CID 83032531
N-(2-hydroxypropyl)-2-(4-methylphenyl)acetamide
CID 43418404
N-[3-(4-chlorophenyl)propyl]-2-(4-methylphenyl)acetamide
CID 38019898

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-N-[2-[(R)-(4-methylphenyl)sulfinyl]ethyl]acetamide?
The IUPAC name of 2-(4-methylphenyl)-N-[2-[(R)-(4-methylphenyl)sulfinyl]ethyl]acetamide (CID 11861849) is 2-(4-methylphenyl)-N-[2-[(R)-(4-methylphenyl)sulfinyl]ethyl]acetamide.
What is the SMILES notation for 2-(4-methylphenyl)-N-[2-[(R)-(4-methylphenyl)sulfinyl]ethyl]acetamide?
The canonical SMILES for 2-(4-methylphenyl)-N-[2-[(R)-(4-methylphenyl)sulfinyl]ethyl]acetamide is Cc1ccc(CC(=O)NCC[S@@](=O)c2ccc(C)cc2)cc1.
What is the InChIKey of 2-(4-methylphenyl)-N-[2-[(R)-(4-methylphenyl)sulfinyl]ethyl]acetamide?
The InChIKey is JAZMRNGJXPWZJO-JOCHJYFZSA-N. The full InChI is InChI=1S/C18H21NO2S/c1-14-3-7-16(8-4-14)13-18(20)19-11-12-22(21)17-9-5-15(2)6-10-17/h3-10H,11-13H2,1-2H3,(H,19,20)/t22-/m1/s1.
What are the key properties of 2-(4-methylphenyl)-N-[2-[(R)-(4-methylphenyl)sulfinyl]ethyl]acetamide?
2-(4-methylphenyl)-N-[2-[(R)-(4-methylphenyl)sulfinyl]ethyl]acetamide has a molecular weight of 315.44 g/mol, XLogP of 2.77, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-N-[2-[(R)-(4-methylphenyl)sulfinyl]ethyl]acetamide is sourced from PubChem (CID 11861849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).